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

C23H25N7O3 — CID 146559932

IUPACN-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3CCOC[C@H]3O)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H25N7O3/c1-24-20-9-17(28-22-15(10-26-30(20)22)23(32)27-13-4-5-13)16-11-29(18-6-8-33-12-19(18)31)21-14(16)3-2-7-25-21/h2-3,7,9-11,13,18-19,24,31H,4-6,8,12H2,1H3,(H,27,32)/t18-,19-/m1/s1
InChIKeyGFIALMGBDIOADK-RTBURBONSA-N
MW447.50 g/mol
LogP2.00
Rot. Bonds5

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

N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559932) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146559932
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC NameN-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3CCOC[C@H]3O)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H25N7O3/c1-24-20-9-17(28-22-15(10-26-30(20)22)23(32)27-13-4-5-13)16-11-29(18-6-8-33-12-19(18)31)21-14(16)3-2-7-25-21/h2-3,7,9-11,13,18-19,24,31H,4-6,8,12H2,1H3,(H,27,32)/t18-,19-/m1/s1
InChIKeyGFIALMGBDIOADK-RTBURBONSA-N
XLogP2.00
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559932) is N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-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-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@@H]3CCOC[C@H]3O)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GFIALMGBDIOADK-RTBURBONSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-24-20-9-17(28-22-15(10-26-30(20)22)23(32)27-13-4-5-13)16-11-29(18-6-8-33-12-19(18)31)21-14(16)3-2-7-25-21/h2-3,7,9-11,13,18-19,24,31H,4-6,8,12H2,1H3,(H,27,32)/t18-,19-/m1/s1.
What are the key properties of N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[(3S,4R)-3-hydroxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).