6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide

C25H27FN6O3 — CID 170966064

IUPAC6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)ncc2C(N)=O)cccc1-c1cnn([C@H]2CCC[C@@H]2F)c1
InChIInChI=1S/C25H27FN6O3/c1-35-23-16(15-11-29-32(13-15)21-7-3-5-18(21)26)4-2-6-19(23)30-20-10-22(28-12-17(20)24(27)33)31-25(34)14-8-9-14/h2,4,6,10-14,18,21H,3,5,7-9H2,1H3,(H2,27,33)(H2,28,30,31,34)/t18-,21-/m0/s1
InChIKeyBNKJMSNYVIGZJY-RXVVDRJESA-N
MW478.53 g/mol
LogP4.21
Rot. Bonds8

About 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide (PubChem CID 170966064) has the molecular formula C25H27FN6O3 and a molecular weight of 478.53 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
PubChem CID170966064
Molecular FormulaC25H27FN6O3
Molecular Weight478.53 g/mol
Exact Mass478.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)ncc2C(N)=O)cccc1-c1cnn([C@H]2CCC[C@@H]2F)c1
InChIInChI=1S/C25H27FN6O3/c1-35-23-16(15-11-29-32(13-15)21-7-3-5-18(21)26)4-2-6-19(23)30-20-10-22(28-12-17(20)24(27)33)31-25(34)14-8-9-14/h2,4,6,10-14,18,21H,3,5,7-9H2,1H3,(H2,27,33)(H2,28,30,31,34)/t18-,21-/m0/s1
InChIKeyBNKJMSNYVIGZJY-RXVVDRJESA-N
XLogP4.21
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965831
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-5,8-dioxaspiro[3.4]octan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170965504
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1R,2R)-2-(difluoromethoxy)cyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965686
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
4-[3-[1-(1,4-dioxaspiro[4.4]nonan-9-yl)pyrazol-4-yl]-2-methoxyanilino]-6-[(1-fluorocyclopropanecarbonyl)amino]pyridine-3-carboxamide
CID 170965411
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-4-iodooxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 174202291
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-5,8-dioxaspiro[3.4]octan-3-yl]pyrazol-4-yl]-2-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 170965578
6-(cyclopropanecarbonylamino)-4-[3-[1-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965893
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-4-oxaspiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 170965525
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(4R)-5-oxaspiro[3.5]nonan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 174199427
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 170966015

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide (CID 170966064) is 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)ncc2C(N)=O)cccc1-c1cnn([C@H]2CCC[C@@H]2F)c1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide?
The InChIKey is BNKJMSNYVIGZJY-RXVVDRJESA-N. The full InChI is InChI=1S/C25H27FN6O3/c1-35-23-16(15-11-29-32(13-15)21-7-3-5-18(21)26)4-2-6-19(23)30-20-10-22(28-12-17(20)24(27)33)31-25(34)14-8-9-14/h2,4,6,10-14,18,21H,3,5,7-9H2,1H3,(H2,27,33)(H2,28,30,31,34)/t18-,21-/m0/s1.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide is sourced from PubChem (CID 170966064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).