3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine

C19H19N7 — CID 118278495

IUPAC3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(Nc2ccc(-n3ccnc3)nc2)nc2c1ncn2CC1CC1
InChIInChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24)
InChIKeyNBMBJGUURXSJBY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.47
Rot. Bonds5

About 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine

3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine (PubChem CID 118278495) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
PubChem CID118278495
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(Nc2ccc(-n3ccnc3)nc2)nc2c1ncn2CC1CC1
InChIInChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24)
InChIKeyNBMBJGUURXSJBY-UHFFFAOYSA-N
XLogP3.47
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine (CID 118278495) is 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine is Cc1cc(Nc2ccc(-n3ccnc3)nc2)nc2c1ncn2CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine?
The InChIKey is NBMBJGUURXSJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24).
What are the key properties of 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine?
3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine has a molecular weight of 345.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118278495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).