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

C20H20FN7O2 — CID 146560778

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

5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560778) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is 5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560778
• Molecular Formula: C20H20FN7O2
• Molecular Weight: 409.43 g/mol
• Exact Mass: 409.17
• IUPAC Name: 5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cnc3n(C4CCOC[C@H]4F)cccc2-3)nc2c(C(N)=O)cnn12
• InChI: InChI=1S/C20H20FN7O2/c1-23-17-7-15(26-20-13(18(22)29)9-25-28(17)20)12-8-24-19-11(12)3-2-5-27(19)16-4-6-30-10-14(16)21/h2-3,5,7-9,14,16,23H,4,6,10H2,1H3,(H2,22,29)/t14-,16?/m1/s1
• InChIKey: GABHOAJDKLDGFP-IURRXHLWSA-N
• XLogP: 2.14
• TPSA: 112.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.43
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560778) is 5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cnc3n(C4CCOC[C@H]4F)cccc2-3)nc2c(C(N)=O)cnn12.

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

The InChIKey is GABHOAJDKLDGFP-IURRXHLWSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-23-17-7-15(26-20-13(18(22)29)9-25-28(17)20)12-8-24-19-11(12)3-2-5-27(19)16-4-6-30-10-14(16)21/h2-3,5,7-9,14,16,23H,4,6,10H2,1H3,(H2,22,29)/t14-,16?/m1/s1.

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

5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[(3S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).