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

C20H25N5O2 — CID 154640938

IUPAC5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOCc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C20H25N5O2/c1-13(2)25-20-17(23-14-6-8-27-11-14)9-16(24-18(20)10-22-25)15-5-4-7-21-19(15)12-26-3/h4-5,7,9-10,13-14H,6,8,11-12H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyAUJVCARKAQEFQE-CQSZACIVSA-N
MW367.45 g/mol
LogP3.42
Rot. Bonds6

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

5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 154640938) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID154640938
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOCc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C20H25N5O2/c1-13(2)25-20-17(23-14-6-8-27-11-14)9-16(24-18(20)10-22-25)15-5-4-7-21-19(15)12-26-3/h4-5,7,9-10,13-14H,6,8,11-12H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyAUJVCARKAQEFQE-CQSZACIVSA-N
XLogP3.42
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 154640938) is 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is COCc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1.
What is the InChIKey of 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is AUJVCARKAQEFQE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)25-20-17(23-14-6-8-27-11-14)9-16(24-18(20)10-22-25)15-5-4-7-21-19(15)12-26-3/h4-5,7,9-10,13-14H,6,8,11-12H2,1-3H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 367.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 154640938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).