[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C29H30N6O2 — CID 45167259

IUPAC[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOCc1c(C(=O)N2CCCCC2c2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C29H30N6O2/c1-37-19-26-24(28(36)34-15-5-4-13-25(34)21-11-7-14-30-16-21)18-32-35(26)29-31-17-22-10-6-9-20-8-2-3-12-23(20)27(22)33-29/h2-3,7-8,11-12,14,16-18,25H,4-6,9-10,13,15,19H2,1H3
InChIKeyJEDBMQHPVMVQGR-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.73
Rot. Bonds5

About [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 45167259) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID45167259
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOCc1c(C(=O)N2CCCCC2c2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C29H30N6O2/c1-37-19-26-24(28(36)34-15-5-4-13-25(34)21-11-7-14-30-16-21)18-32-35(26)29-31-17-22-10-6-9-20-8-2-3-12-23(20)27(22)33-29/h2-3,7-8,11-12,14,16-18,25H,4-6,9-10,13,15,19H2,1H3
InChIKeyJEDBMQHPVMVQGR-UHFFFAOYSA-N
XLogP4.73
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 26342576
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 118756047
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42440166
[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 45166845
(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45230539
[5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 42441952
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methylpyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 42452093
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 26332215
(3S)-1-[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methylpyrazole-4-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 26363333
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methylpyrazol-4-yl]-[(3R)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42378655
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 42421389

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 45167259) is [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is COCc1c(C(=O)N2CCCCC2c2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2.
What is the InChIKey of [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is JEDBMQHPVMVQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-37-19-26-24(28(36)34-15-5-4-13-25(34)21-11-7-14-30-16-21)18-32-35(26)29-31-17-22-10-6-9-20-8-2-3-12-23(20)27(22)33-29/h2-3,7-8,11-12,14,16-18,25H,4-6,9-10,13,15,19H2,1H3.
What are the key properties of [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 494.60 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45167259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).