3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine

C19H19N7O — CID 118288357

IUPAC3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
SMILESCc1nnc(-c2ccc(Nc3cc(C)c4ncn(CC5CC5)c4n3)nc2)o1
InChIInChI=1S/C19H19N7O/c1-11-7-16(23-18-17(11)21-10-26(18)9-13-3-4-13)22-15-6-5-14(8-20-15)19-25-24-12(2)27-19/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,22,23)
InChIKeyZOHMSPFZPHPQOZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.65
Rot. Bonds5

About 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine

3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 118288357) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID118288357
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
SMILESCc1nnc(-c2ccc(Nc3cc(C)c4ncn(CC5CC5)c4n3)nc2)o1
InChIInChI=1S/C19H19N7O/c1-11-7-16(23-18-17(11)21-10-26(18)9-13-3-4-13)22-15-6-5-14(8-20-15)19-25-24-12(2)27-19/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,22,23)
InChIKeyZOHMSPFZPHPQOZ-UHFFFAOYSA-N
XLogP3.65
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine (CID 118288357) is 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine is Cc1nnc(-c2ccc(Nc3cc(C)c4ncn(CC5CC5)c4n3)nc2)o1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is ZOHMSPFZPHPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-11-7-16(23-18-17(11)21-10-26(18)9-13-3-4-13)22-15-6-5-14(8-20-15)19-25-24-12(2)27-19/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,22,23).
What are the key properties of 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine?
3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 361.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118288357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).