N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23N7O2 — CID 137441597

IUPACN-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12
InChIInChI=1S/C21H23N7O2/c1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29/h4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30)/t16-,17-/m1/s1
InChIKeyCDSLQJQKMGFJCQ-IAGOWNOFSA-N
MW405.46 g/mol
LogP2.23
Rot. Bonds5

About N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441597) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441597
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12
InChIInChI=1S/C21H23N7O2/c1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29/h4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30)/t16-,17-/m1/s1
InChIKeyCDSLQJQKMGFJCQ-IAGOWNOFSA-N
XLogP2.23
TPSA109.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441597) is N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@H]3O)cnn12.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CDSLQJQKMGFJCQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-11(2)27-10-14(12-5-4-6-23-19(12)27)15-8-18(22-3)28-20(25-15)13(9-24-28)21(30)26-16-7-17(16)29/h4-6,8-11,16-17,22,29H,7H2,1-3H3,(H,26,30)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).