tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C110H133N35O12 — CID 157445920

About tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157445920) has the molecular formula C110H133N35O12 and a molecular weight of 2137.51 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 157445920
• Molecular Formula: C110H133N35O12
• Molecular Weight: 2137.51 g/mol
• Exact Mass: 2136.09
• IUPAC Name: tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc([C@@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc([C@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C26H33N7O4.4C21H25N7O2/c1-26(2,3)37-25(35)32(4)22-14-21(30-20-10-7-8-18(29-20)19-9-5-6-13-36-19)31-23-17(15-27-33(22)23)24(34)28-16-11-12-16;4*1-22-19-11-18(26-17-7-4-5-15(25-17)16-6-2-3-10-30-16)27-20-14(12-23-28(19)20)21(29)24-13-8-9-13/h7-8,10,14-16,19H,5-6,9,11-13H2,1-4H3,(H,28,34)(H,29,30,31);4*4-5,7,11-13,16,22H,2-3,6,8-10H2,1H3,(H,24,29)(H,25,26,27)/t;2*16-;;/m.10../s1
• InChIKey: BSFINJPHMXBVRW-FZWGQNITSA-N
• XLogP: 16.55
• TPSA: 544.86 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.51
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157445920) is tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc(C3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc([C@@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cccc([C@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.

What is the InChIKey of tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BSFINJPHMXBVRW-FZWGQNITSA-N. The full InChI is InChI=1S/C26H33N7O4.4C21H25N7O2/c1-26(2,3)37-25(35)32(4)22-14-21(30-20-10-7-8-18(29-20)19-9-5-6-13-36-19)31-23-17(15-27-33(22)23)24(34)28-16-11-12-16;4*1-22-19-11-18(26-17-7-4-5-15(25-17)16-6-2-3-10-30-16)27-20-14(12-23-28(19)20)21(29)24-13-8-9-13/h7-8,10,14-16,19H,5-6,9,11-13H2,1-4H3,(H,28,34)(H,29,30,31);4*4-5,7,11-13,16,22H,2-3,6,8-10H2,1H3,(H,24,29)(H,25,26,27)/t;2*16-;;/m.10../s1.

What are the key properties of tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2137.51 g/mol, XLogP of 16.55, 30 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;bis(N-cyclopropyl-7-(methylamino)-5-[[6-(oxan-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide);N-cyclopropyl-7-(methylamino)-5-[[6-[(2S)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157445920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).