N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide

C27H29N7O3S — CID 59332463

IUPACN-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1(N2CCOCC2)CCN(c2ccccc2NC(=O)c2csc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C27H29N7O3S/c28-25(36)27(33-13-15-37-16-14-33)9-11-32(12-10-27)23-8-4-2-6-20(23)30-24(35)21-18-38-26(31-21)34-22-7-3-1-5-19(22)17-29-34/h1-8,17-18H,9-16H2,(H2,28,36)(H,30,35)
InChIKeyKCNGZFIUQINEAV-UHFFFAOYSA-N
MW531.64 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide

N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 59332463) has the molecular formula C27H29N7O3S and a molecular weight of 531.64 g/mol. Its IUPAC name is N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
PubChem CID59332463
Molecular FormulaC27H29N7O3S
Molecular Weight531.64 g/mol
Exact Mass531.21
IUPAC NameN-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)C1(N2CCOCC2)CCN(c2ccccc2NC(=O)c2csc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C27H29N7O3S/c28-25(36)27(33-13-15-37-16-14-33)9-11-32(12-10-27)23-8-4-2-6-20(23)30-24(35)21-18-38-26(31-21)34-22-7-3-1-5-19(22)17-29-34/h1-8,17-18H,9-16H2,(H2,28,36)(H,30,35)
InChIKeyKCNGZFIUQINEAV-UHFFFAOYSA-N
XLogP2.89
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.64
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 59332332
2-indazol-1-yl-N-(4-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332392
ethane;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 143756710
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098055
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332404
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332076
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 71053466
N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 71101764
2-amino-N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;cyclopentane
CID 143665645
N-[2-[4-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]piperazin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 67271184
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (CID 59332463) is N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is NC(=O)C1(N2CCOCC2)CCN(c2ccccc2NC(=O)c2csc(-n3ncc4ccccc43)n2)CC1.
What is the InChIKey of N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KCNGZFIUQINEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3S/c28-25(36)27(33-13-15-37-16-14-33)9-11-32(12-10-27)23-8-4-2-6-20(23)30-24(35)21-18-38-26(31-21)34-22-7-3-1-5-19(22)17-29-34/h1-8,17-18H,9-16H2,(H2,28,36)(H,30,35).
What are the key properties of N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 531.64 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).