5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C24H27N7O2 — CID 171653642

IUPAC5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nc(C2CC2)cc(OC2CCCCCC2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C24H27N7O2/c1-32-24-23(19-11-21(31-30-19)29-22-14-26-16(12-25)13-27-22)20(10-18(28-24)15-8-9-15)33-17-6-4-2-3-5-7-17/h10-11,13-15,17H,2-9H2,1H3,(H2,27,29,30,31)
InChIKeyVUVOOHKPGFUODQ-UHFFFAOYSA-N
MW445.53 g/mol
LogP4.86
Rot. Bonds7

About 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171653642) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID171653642
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1nc(C2CC2)cc(OC2CCCCCC2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
InChIInChI=1S/C24H27N7O2/c1-32-24-23(19-11-21(31-30-19)29-22-14-26-16(12-25)13-27-22)20(10-18(28-24)15-8-9-15)33-17-6-4-2-3-5-7-17/h10-11,13-15,17H,2-9H2,1H3,(H2,27,29,30,31)
InChIKeyVUVOOHKPGFUODQ-UHFFFAOYSA-N
XLogP4.86
TPSA121.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653675
5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653656
5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147771
5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653693
5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147987
5-[[5-[2-(3-aminocyclobutyl)oxy-6-methoxy-4-methylphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 170070430
5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335278
5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 163407467
5-[[5-[6-(3-aminocyclobutyl)oxy-3-fluoro-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335230
cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653692
5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 163407435
tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate
CID 164938391

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 171653642) is 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1nc(C2CC2)cc(OC2CCCCCC2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.
What is the InChIKey of 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is VUVOOHKPGFUODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-32-24-23(19-11-21(31-30-19)29-22-14-26-16(12-25)13-27-22)20(10-18(28-24)15-8-9-15)33-17-6-4-2-3-5-7-17/h10-11,13-15,17H,2-9H2,1H3,(H2,27,29,30,31).
What are the key properties of 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 445.53 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171653642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).