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

C24H33FN6O2 — CID 156600469

IUPAC6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc(OCCN3CCCC3)cc2)cn1
InChIInChI=1S/C24H33FN6O2/c1-30-15-16(14-26-30)19-12-20-22(13-21(19)25)28-29-23(20)24(32)27-17-4-6-18(7-5-17)33-11-10-31-8-2-3-9-31/h4-7,14-15,19-23,28-29H,2-3,8-13H2,1H3,(H,27,32)
InChIKeyDVWWXQNUHKSGLR-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.21
Rot. Bonds7

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

6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600469) has the molecular formula C24H33FN6O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600469
Molecular FormulaC24H33FN6O2
Molecular Weight456.57 g/mol
Exact Mass456.26
IUPAC Name6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc(OCCN3CCCC3)cc2)cn1
InChIInChI=1S/C24H33FN6O2/c1-30-15-16(14-26-30)19-12-20-22(13-21(19)25)28-29-23(20)24(32)27-17-4-6-18(7-5-17)33-11-10-31-8-2-3-9-31/h4-7,14-15,19-23,28-29H,2-3,8-13H2,1H3,(H,27,32)
InChIKeyDVWWXQNUHKSGLR-UHFFFAOYSA-N
XLogP2.21
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide
CID 139431409
5-(1,5-dimethylpyrazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600438
6-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600453
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600471
3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970746
5-[1-(azetidin-3-yl)pyrazol-4-yl]-N-[4-(difluoromethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600411
N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600412
N-[4-(difluoromethoxy)phenyl]-6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600413
N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600415
N-[4-(difluoromethoxy)phenyl]-6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600416
N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600420
6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600436

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600469) is 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is Cn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc(OCCN3CCCC3)cc2)cn1.
What is the InChIKey of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is DVWWXQNUHKSGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O2/c1-30-15-16(14-26-30)19-12-20-22(13-21(19)25)28-29-23(20)24(32)27-17-4-6-18(7-5-17)33-11-10-31-8-2-3-9-31/h4-7,14-15,19-23,28-29H,2-3,8-13H2,1H3,(H,27,32).
What are the key properties of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).