N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

C20H25FN6O — CID 139431534

IUPACN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C20H25FN6O/c1-20(2,21)12-27-7-5-15(6-8-27)24-19(28)18-16-9-13(14-10-22-23-11-14)3-4-17(16)25-26-18/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)
InChIKeyPBLDMFVQDUKLGE-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431534) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431534
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC NameN-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C20H25FN6O/c1-20(2,21)12-27-7-5-15(6-8-27)24-19(28)18-16-9-13(14-10-22-23-11-14)3-4-17(16)25-26-18/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)
InChIKeyPBLDMFVQDUKLGE-UHFFFAOYSA-N
XLogP2.90
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431534) is N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is CC(C)(F)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cn[nH]c4)cc23)CC1.
What is the InChIKey of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is PBLDMFVQDUKLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-20(2,21)12-27-7-5-15(6-8-27)24-19(28)18-16-9-13(14-10-22-23-11-14)3-4-17(16)25-26-18/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,23)(H,24,28)(H,25,26).
What are the key properties of N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).