acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine

C32H34ClN7S — CID 145245294

IUPACacetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine
SMILESC#C.C1CC(C2CC2)CCN1.Cc1cncc(-c2ccc(N)c(Cc3nc4c(-c5ccc(Cl)s5)nccc4[nH]3)n2)c1
InChIInChI=1S/C22H17ClN6S.C8H15N.C2H2/c1-12-8-13(11-25-10-12)15-3-2-14(24)17(27-15)9-20-28-16-6-7-26-22(21(16)29-20)18-4-5-19(23)30-18;1-2-7(1)8-3-5-9-6-4-8;1-2/h2-8,10-11H,9,24H2,1H3,(H,28,29);7-9H,1-6H2;1-2H
InChIKeyZPAOVXOKWHQBHL-UHFFFAOYSA-N
MW584.19 g/mol
LogP6.92
Rot. Bonds5

About acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine

acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine (PubChem CID 145245294) has the molecular formula C32H34ClN7S and a molecular weight of 584.19 g/mol. Its IUPAC name is acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine.

Molecular Properties

Compound Nameacetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine
PubChem CID145245294
Molecular FormulaC32H34ClN7S
Molecular Weight584.19 g/mol
Exact Mass583.23
IUPAC Nameacetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine
SMILESC#C.C1CC(C2CC2)CCN1.Cc1cncc(-c2ccc(N)c(Cc3nc4c(-c5ccc(Cl)s5)nccc4[nH]3)n2)c1
InChIInChI=1S/C22H17ClN6S.C8H15N.C2H2/c1-12-8-13(11-25-10-12)15-3-2-14(24)17(27-15)9-20-28-16-6-7-26-22(21(16)29-20)18-4-5-19(23)30-18;1-2-7(1)8-3-5-9-6-4-8;1-2/h2-8,10-11H,9,24H2,1H3,(H,28,29);7-9H,1-6H2;1-2H
InChIKeyZPAOVXOKWHQBHL-UHFFFAOYSA-N
XLogP6.92
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.19
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine?
The IUPAC name of acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine (CID 145245294) is acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine.
What is the SMILES notation for acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine?
The canonical SMILES for acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine is C#C.C1CC(C2CC2)CCN1.Cc1cncc(-c2ccc(N)c(Cc3nc4c(-c5ccc(Cl)s5)nccc4[nH]3)n2)c1.
What is the InChIKey of acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine?
The InChIKey is ZPAOVXOKWHQBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6S.C8H15N.C2H2/c1-12-8-13(11-25-10-12)15-3-2-14(24)17(27-15)9-20-28-16-6-7-26-22(21(16)29-20)18-4-5-19(23)30-18;1-2-7(1)8-3-5-9-6-4-8;1-2/h2-8,10-11H,9,24H2,1H3,(H,28,29);7-9H,1-6H2;1-2H.
What are the key properties of acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine?
acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine has a molecular weight of 584.19 g/mol, XLogP of 6.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[[4-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(5-methyl-3-pyridinyl)pyridin-3-amine;4-cyclopropylpiperidine is sourced from PubChem (CID 145245294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).