2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine

C20H23N7 — CID 123363206

IUPAC2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
SMILESCNc1ccc(-c2cnn(C(C)C)c2)nc1NCc1ccc2nccn2c1
InChIInChI=1S/C20H23N7/c1-14(2)27-13-16(11-24-27)17-5-6-18(21-3)20(25-17)23-10-15-4-7-19-22-8-9-26(19)12-15/h4-9,11-14,21H,10H2,1-3H3,(H,23,25)
InChIKeyHCSXDYWDGBKMQK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.83
Rot. Bonds6

About 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine

2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine (PubChem CID 123363206) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
PubChem CID123363206
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
SMILESCNc1ccc(-c2cnn(C(C)C)c2)nc1NCc1ccc2nccn2c1
InChIInChI=1S/C20H23N7/c1-14(2)27-13-16(11-24-27)17-5-6-18(21-3)20(25-17)23-10-15-4-7-19-22-8-9-26(19)12-15/h4-9,11-14,21H,10H2,1-3H3,(H,23,25)
InChIKeyHCSXDYWDGBKMQK-UHFFFAOYSA-N
XLogP3.83
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine (CID 123363206) is 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine is CNc1ccc(-c2cnn(C(C)C)c2)nc1NCc1ccc2nccn2c1.
What is the InChIKey of 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine?
The InChIKey is HCSXDYWDGBKMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-14(2)27-13-16(11-24-27)17-5-6-18(21-3)20(25-17)23-10-15-4-7-19-22-8-9-26(19)12-15/h4-9,11-14,21H,10H2,1-3H3,(H,23,25).
What are the key properties of 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine?
2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine has a molecular weight of 361.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-N-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine is sourced from PubChem (CID 123363206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).