N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N7O4 — CID 137441516

About N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441516) has the molecular formula C22H27N7O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137441516
• Molecular Formula: C22H27N7O4
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.21
• IUPAC Name: N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccc([C@H]3CCCOC3)n2)nc2c(C(=O)NC3COCC3O)cnn12
• InChI: InChI=1S/C22H27N7O4/c1-23-20-8-19(27-18-6-2-5-15(25-18)13-4-3-7-32-10-13)28-21-14(9-24-29(20)21)22(31)26-16-11-33-12-17(16)30/h2,5-6,8-9,13,16-17,23,30H,3-4,7,10-12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16?,17?/m0/s1
• InChIKey: IJTHJWGDFAFDCE-IGEOTXOUSA-N
• XLogP: 1.29
• TPSA: 134.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441516) is N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc([C@H]3CCCOC3)n2)nc2c(C(=O)NC3COCC3O)cnn12.

What is the InChIKey of N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IJTHJWGDFAFDCE-IGEOTXOUSA-N. The full InChI is InChI=1S/C22H27N7O4/c1-23-20-8-19(27-18-6-2-5-15(25-18)13-4-3-7-32-10-13)28-21-14(9-24-29(20)21)22(31)26-16-11-33-12-17(16)30/h2,5-6,8-9,13,16-17,23,30H,3-4,7,10-12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16?,17?/m0/s1.

What are the key properties of N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).