5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide

C25H27N5O2 — CID 42405339

IUPAC5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
InChIInChI=1S/C25H27N5O2/c31-24(26-14-19-8-4-12-32-19)21-15-28-30(23(21)17-10-11-17)25-27-13-18-7-3-6-16-5-1-2-9-20(16)22(18)29-25/h1-2,5,9,13,15,17,19H,3-4,6-8,10-12,14H2,(H,26,31)/t19-/m1/s1
InChIKeyZNYHHYYNSBJXPV-LJQANCHMSA-N
MW429.52 g/mol
LogP3.60
Rot. Bonds5

About 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide

5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 42405339) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID42405339
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1
InChIInChI=1S/C25H27N5O2/c31-24(26-14-19-8-4-12-32-19)21-15-28-30(23(21)17-10-11-17)25-27-13-18-7-3-6-16-5-1-2-9-20(16)22(18)29-25/h1-2,5,9,13,15,17,19H,3-4,6-8,10-12,14H2,(H,26,31)/t19-/m1/s1
InChIKeyZNYHHYYNSBJXPV-LJQANCHMSA-N
XLogP3.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 29001420
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 26275723
[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
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42362928
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 42359578
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 42376198
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42397418
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
1-(4-bromophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 46642626
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide (CID 42405339) is 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide is O=C(NC[C@H]1CCCO1)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is ZNYHHYYNSBJXPV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-24(26-14-19-8-4-12-32-19)21-15-28-30(23(21)17-10-11-17)25-27-13-18-7-3-6-16-5-1-2-9-20(16)22(18)29-25/h1-2,5,9,13,15,17,19H,3-4,6-8,10-12,14H2,(H,26,31)/t19-/m1/s1.
What are the key properties of 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42405339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).