6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate

C34H43BrN14O2 — CID 157260469

About 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate

6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate (PubChem CID 157260469) has the molecular formula C34H43BrN14O2 and a molecular weight of 759.72 g/mol. Its IUPAC name is 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate.

Molecular Properties

• Compound Name: 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
• PubChem CID: 157260469
• Molecular Formula: C34H43BrN14O2
• Molecular Weight: 759.72 g/mol
• Exact Mass: 758.29
• IUPAC Name: 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
• SMILES: Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)OC(C)(C)C)NC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn12
• InChI: InChI=1S/C20H27N7O2.C14H16BrN7/c1-20(2,3)29-19(28)15-6-5-12(8-22-15)16-7-17(21)27-18(25-16)14(10-24-27)13-9-23-26(4)11-13;15-11-12(8-2-1-3-17-4-8)21-14-10(9-5-18-19-6-9)7-20-22(14)13(11)16/h7,9-12,15,22H,5-6,8,21H2,1-4H3;5-8,17H,1-4,16H2,(H,18,19)/t12-,15-;/m0./s1
• InChIKey: AXJWSRFDBRAMKN-NXCSSKFKSA-N
• XLogP: 3.82
• TPSA: 209.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.72
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?

The IUPAC name of 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate (CID 157260469) is 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate.

What is the SMILES notation for 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?

The canonical SMILES for 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate is Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)OC(C)(C)C)NC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cn[nH]c3)cnn12.

What is the InChIKey of 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?

The InChIKey is AXJWSRFDBRAMKN-NXCSSKFKSA-N. The full InChI is InChI=1S/C20H27N7O2.C14H16BrN7/c1-20(2,3)29-19(28)15-6-5-12(8-22-15)16-7-17(21)27-18(25-16)14(10-24-27)13-9-23-26(4)11-13;15-11-12(8-2-1-3-17-4-8)21-14-10(9-5-18-19-6-9)7-20-22(14)13(11)16/h7,9-12,15,22H,5-6,8,21H2,1-4H3;5-8,17H,1-4,16H2,(H,18,19)/t12-,15-;/m0./s1.

What are the key properties of 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate?

6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate has a molecular weight of 759.72 g/mol, XLogP of 3.82, 5 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate is sourced from PubChem (CID 157260469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).