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

C20H21N7O2 — CID 137449811

IUPAC7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3CCCOC3)c3ncccc23)nc2c(C(N)=O)cnn12
InChIInChI=1S/C20H21N7O2/c1-22-17-8-16(25-20-14(18(21)28)9-24-27(17)20)15-10-26(12-4-3-7-29-11-12)19-13(15)5-2-6-23-19/h2,5-6,8-10,12,22H,3-4,7,11H2,1H3,(H2,21,28)/t12-/m1/s1
InChIKeyOBNNNWWDQRULPU-GFCCVEGCSA-N
MW391.44 g/mol
LogP2.24
Rot. Bonds4

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

7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449811) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449811
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3CCCOC3)c3ncccc23)nc2c(C(N)=O)cnn12
InChIInChI=1S/C20H21N7O2/c1-22-17-8-16(25-20-14(18(21)28)9-24-27(17)20)15-10-26(12-4-3-7-29-11-12)19-13(15)5-2-6-23-19/h2,5-6,8-10,12,22H,3-4,7,11H2,1H3,(H2,21,28)/t12-/m1/s1
InChIKeyOBNNNWWDQRULPU-GFCCVEGCSA-N
XLogP2.24
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449811) is 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@@H]3CCCOC3)c3ncccc23)nc2c(C(N)=O)cnn12.
What is the InChIKey of 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OBNNNWWDQRULPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-22-17-8-16(25-20-14(18(21)28)9-24-27(17)20)15-10-26(12-4-3-7-29-11-12)19-13(15)5-2-6-23-19/h2,5-6,8-10,12,22H,3-4,7,11H2,1H3,(H2,21,28)/t12-/m1/s1.
What are the key properties of 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-5-[1-[(3R)-oxan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).