3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine

C20H23N7O — CID 135208305

IUPAC3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine
SMILESC=N/C(=C\C=C(/C)c1nnc(C)o1)Nc1cc(C)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C20H23N7O/c1-12(20-26-25-14(3)28-20)5-8-16(21-4)23-17-9-13(2)18-19(24-17)27(11-22-18)10-15-6-7-15/h5,8-9,11,15H,4,6-7,10H2,1-3H3,(H,23,24)/b12-5+,16-8+
InChIKeyGQLSTUFHWRGHGU-FZGUNPHYSA-N
MW377.45 g/mol
LogP3.90
Rot. Bonds7

About 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine

3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 135208305) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID135208305
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine
SMILESC=N/C(=C\C=C(/C)c1nnc(C)o1)Nc1cc(C)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C20H23N7O/c1-12(20-26-25-14(3)28-20)5-8-16(21-4)23-17-9-13(2)18-19(24-17)27(11-22-18)10-15-6-7-15/h5,8-9,11,15H,4,6-7,10H2,1-3H3,(H,23,24)/b12-5+,16-8+
InChIKeyGQLSTUFHWRGHGU-FZGUNPHYSA-N
XLogP3.90
TPSA94.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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
3-[7-(5-Propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 89259202
Ethane;2-ethyl-5-(3-ethylimidazo[1,2-a]pyridin-7-yl)-1,3,4-oxadiazole
CID 143707212
N-cyclopropyl-3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 143908197

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine (CID 135208305) is 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine is C=N/C(=C\C=C(/C)c1nnc(C)o1)Nc1cc(C)c2ncn(CC3CC3)c2n1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is GQLSTUFHWRGHGU-FZGUNPHYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-12(20-26-25-14(3)28-20)5-8-16(21-4)23-17-9-13(2)18-19(24-17)27(11-22-18)10-15-6-7-15/h5,8-9,11,15H,4,6-7,10H2,1-3H3,(H,23,24)/b12-5+,16-8+.
What are the key properties of 3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine?
3-(cyclopropylmethyl)-7-methyl-N-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 377.45 g/mol, XLogP of 3.90, 7 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-[(1Z,3E)-1-(methylideneamino)-4-(5-methyl-1,3,4-oxadiazol-2-yl)penta-1,3-dienyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 135208305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).