N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine

C20H22N6O — CID 154640951

IUPACN-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ncc2nc(-c3cnn4ccccc34)cc(N[C@@H]3CCOC3)c21
InChIInChI=1S/C20H22N6O/c1-13(2)26-20-17(23-14-6-8-27-12-14)9-16(24-18(20)11-22-26)15-10-21-25-7-4-3-5-19(15)25/h3-5,7,9-11,13-14H,6,8,12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyUSWHMSHJNLFACZ-CQSZACIVSA-N
MW362.44 g/mol
LogP3.53
Rot. Bonds4

About N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine

N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 154640951) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID154640951
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ncc2nc(-c3cnn4ccccc34)cc(N[C@@H]3CCOC3)c21
InChIInChI=1S/C20H22N6O/c1-13(2)26-20-17(23-14-6-8-27-12-14)9-16(24-18(20)11-22-26)15-10-21-25-7-4-3-5-19(15)25/h3-5,7,9-11,13-14H,6,8,12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyUSWHMSHJNLFACZ-CQSZACIVSA-N
XLogP3.53
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine (CID 154640951) is N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine is CC(C)n1ncc2nc(-c3cnn4ccccc34)cc(N[C@@H]3CCOC3)c21.
What is the InChIKey of N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is USWHMSHJNLFACZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13(2)26-20-17(23-14-6-8-27-12-14)9-16(24-18(20)11-22-26)15-10-21-25-7-4-3-5-19(15)25/h3-5,7,9-11,13-14H,6,8,12H2,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine?
N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 362.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxolan-3-yl]-1-propan-2-yl-5-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 154640951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).