7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one

C23H35N7O — CID 135276702

IUPAC7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
SMILESCCCNc1nc(N2CCCCC2)nc(N(C)C2CCC(C)Cn3c2cccc3=O)n1
InChIInChI=1S/C23H35N7O/c1-4-13-24-21-25-22(27-23(26-21)29-14-6-5-7-15-29)28(3)18-12-11-17(2)16-30-19(18)9-8-10-20(30)31/h8-10,17-18H,4-7,11-16H2,1-3H3,(H,24,25,26,27)
InChIKeyOPIMYBCGCKMRHN-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.45
Rot. Bonds6

About 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one

7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one (PubChem CID 135276702) has the molecular formula C23H35N7O and a molecular weight of 425.58 g/mol. Its IUPAC name is 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one.

Molecular Properties

Compound Name7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
PubChem CID135276702
Molecular FormulaC23H35N7O
Molecular Weight425.58 g/mol
Exact Mass425.29
IUPAC Name7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
SMILESCCCNc1nc(N2CCCCC2)nc(N(C)C2CCC(C)Cn3c2cccc3=O)n1
InChIInChI=1S/C23H35N7O/c1-4-13-24-21-25-22(27-23(26-21)29-14-6-5-7-15-29)28(3)18-12-11-17(2)16-30-19(18)9-8-10-20(30)31/h8-10,17-18H,4-7,11-16H2,1-3H3,(H,24,25,26,27)
InChIKeyOPIMYBCGCKMRHN-UHFFFAOYSA-N
XLogP3.45
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one with MolForge

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Related Compounds

4-N-cyclopropyl-2-N-ethyl-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775644
4-N-ethyl-4-N-propan-2-yl-2-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772192
6-(3-methylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 80764364
6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771750
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
4-N,4-N-dimethyl-6-(1,4-oxazepan-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80822984
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774325
4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117089217
N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80797845
10-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,10-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-6-one
CID 138475388
4-butyl-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106659328

Frequently Asked Questions

What is the IUPAC name of 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The IUPAC name of 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one (CID 135276702) is 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one.
What is the SMILES notation for 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The canonical SMILES for 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one is CCCNc1nc(N2CCCCC2)nc(N(C)C2CCC(C)Cn3c2cccc3=O)n1.
What is the InChIKey of 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The InChIKey is OPIMYBCGCKMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7O/c1-4-13-24-21-25-22(27-23(26-21)29-14-6-5-7-15-29)28(3)18-12-11-17(2)16-30-19(18)9-8-10-20(30)31/h8-10,17-18H,4-7,11-16H2,1-3H3,(H,24,25,26,27).
What are the key properties of 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one has a molecular weight of 425.58 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-10-[methyl-[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one is sourced from PubChem (CID 135276702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).