N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C27H32N6O2 — CID 118381343

IUPACN-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC#CCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)CC1
InChIInChI=1S/C27H32N6O2/c1-2-3-8-32-9-6-23(7-10-32)29-27(34)26-24-16-21(4-5-25(24)30-31-26)22-15-20(17-28-18-22)19-33-11-13-35-14-12-33/h4-5,15-18,23H,6-14,19H2,1H3,(H,29,34)(H,30,31)
InChIKeyBETQRCGBNKLSJQ-UHFFFAOYSA-N
MW472.59 g/mol
LogP2.67
Rot. Bonds6

About N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381343) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381343
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC NameN-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC#CCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)CC1
InChIInChI=1S/C27H32N6O2/c1-2-3-8-32-9-6-23(7-10-32)29-27(34)26-24-16-21(4-5-25(24)30-31-26)22-15-20(17-28-18-22)19-33-11-13-35-14-12-33/h4-5,15-18,23H,6-14,19H2,1H3,(H,29,34)(H,30,31)
InChIKeyBETQRCGBNKLSJQ-UHFFFAOYSA-N
XLogP2.67
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(2-methylpropyl)piperidin-4-yl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381758
N-cyclohexyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382016
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382048
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381511
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381128
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide
CID 123261409

Frequently Asked Questions

What is the IUPAC name of N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381343) is N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CC#CCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)CC1.
What is the InChIKey of N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is BETQRCGBNKLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-2-3-8-32-9-6-23(7-10-32)29-27(34)26-24-16-21(4-5-25(24)30-31-26)22-15-20(17-28-18-22)19-33-11-13-35-14-12-33/h4-5,15-18,23H,6-14,19H2,1H3,(H,29,34)(H,30,31).
What are the key properties of N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-but-2-ynylpiperidin-4-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).