N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H31N7O4 — CID 146560824

About N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560824) has the molecular formula C26H31N7O4 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560824
• Molecular Formula: C26H31N7O4
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.24
• IUPAC Name: N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12
• InChI: InChI=1S/C26H31N7O4/c1-27-23-11-19(30-25-17(13-29-33(23)25)26(34)31-18-6-7-21(18)35-2)16-12-28-24-15(16)5-4-9-32(24)20-8-10-37-14-22(20)36-3/h4-5,9,11-13,18,20-22,27H,6-8,10,14H2,1-3H3,(H,31,34)/t18?,20-,21+,22-/m1/s1
• InChIKey: UFNDNHKRQJDMIZ-ZXJUBJKJSA-N
• XLogP: 2.62
• TPSA: 116.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560824) is N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cnc3n([C@@H]4CCOC[C@H]4OC)cccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.

What is the InChIKey of N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UFNDNHKRQJDMIZ-ZXJUBJKJSA-N. The full InChI is InChI=1S/C26H31N7O4/c1-27-23-11-19(30-25-17(13-29-33(23)25)26(34)31-18-6-7-21(18)35-2)16-12-28-24-15(16)5-4-9-32(24)20-8-10-37-14-22(20)36-3/h4-5,9,11-13,18,20-22,27H,6-8,10,14H2,1-3H3,(H,31,34)/t18?,20-,21+,22-/m1/s1.

What are the key properties of N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 505.58 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3S,4R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).