6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C24H34FN7O — CID 156600435

IUPAC6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)C3NNC4CC(F)C(c5cnn(C)c5)CC43)cc2)CC1
InChIInChI=1S/C24H34FN7O/c1-30-7-9-32(10-8-30)14-16-3-5-18(6-4-16)27-24(33)23-20-11-19(17-13-26-31(2)15-17)21(25)12-22(20)28-29-23/h3-6,13,15,19-23,28-29H,7-12,14H2,1-2H3,(H,27,33)
InChIKeyKRHIWOZPOIBZGO-UHFFFAOYSA-N
MW455.58 g/mol
LogP1.48
Rot. Bonds5

About 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600435) has the molecular formula C24H34FN7O and a molecular weight of 455.58 g/mol. Its IUPAC name is 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600435
Molecular FormulaC24H34FN7O
Molecular Weight455.58 g/mol
Exact Mass455.28
IUPAC Name6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCN(Cc2ccc(NC(=O)C3NNC4CC(F)C(c5cnn(C)c5)CC43)cc2)CC1
InChIInChI=1S/C24H34FN7O/c1-30-7-9-32(10-8-30)14-16-3-5-18(6-4-16)27-24(33)23-20-11-19(17-13-26-31(2)15-17)21(25)12-22(20)28-29-23/h3-6,13,15,19-23,28-29H,7-12,14H2,1-2H3,(H,27,33)
InChIKeyKRHIWOZPOIBZGO-UHFFFAOYSA-N
XLogP1.48
TPSA77.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600434
6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600422
6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802872
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
2-(furan-2-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 71936659
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917504
[2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 56820079
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
[(3R,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]carbamic acid
CID 146401949
(3R,4S)-N-[4-(ethoxymethyl)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936405
N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600460
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,6,8(12),9-pentaene-3-carboxamide
CID 91229231

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600435) is 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CN1CCN(Cc2ccc(NC(=O)C3NNC4CC(F)C(c5cnn(C)c5)CC43)cc2)CC1.
What is the InChIKey of 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is KRHIWOZPOIBZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN7O/c1-30-7-9-32(10-8-30)14-16-3-5-18(6-4-16)27-24(33)23-20-11-19(17-13-26-31(2)15-17)21(25)12-22(20)28-29-23/h3-6,13,15,19-23,28-29H,7-12,14H2,1-2H3,(H,27,33).
What are the key properties of 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).