N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C24H24FN7OS — CID 56940877

IUPACN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2csc(-c3cnn(Cc4cccnc4)c3)n2)C1
InChIInChI=1S/C24H24FN7OS/c25-19-6-1-7-20(22(19)31-9-3-5-18(26)14-31)29-23(33)21-15-34-24(30-21)17-11-28-32(13-17)12-16-4-2-8-27-10-16/h1-2,4,6-8,10-11,13,15,18H,3,5,9,12,14,26H2,(H,29,33)/t18-/m1/s1
InChIKeyPGDOMBVBFWIUEI-GOSISDBHSA-N
MW477.57 g/mol
LogP3.77
Rot. Bonds6

About N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 56940877) has the molecular formula C24H24FN7OS and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID56940877
Molecular FormulaC24H24FN7OS
Molecular Weight477.57 g/mol
Exact Mass477.17
IUPAC NameN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2csc(-c3cnn(Cc4cccnc4)c3)n2)C1
InChIInChI=1S/C24H24FN7OS/c25-19-6-1-7-20(22(19)31-9-3-5-18(26)14-31)29-23(33)21-15-34-24(30-21)17-11-28-32(13-17)12-16-4-2-8-27-10-16/h1-2,4,6-8,10-11,13,15,18H,3,5,9,12,14,26H2,(H,29,33)/t18-/m1/s1
InChIKeyPGDOMBVBFWIUEI-GOSISDBHSA-N
XLogP3.77
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 56940877) is N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is N[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2csc(-c3cnn(Cc4cccnc4)c3)n2)C1.
What is the InChIKey of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PGDOMBVBFWIUEI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24FN7OS/c25-19-6-1-7-20(22(19)31-9-3-5-18(26)14-31)29-23(33)21-15-34-24(30-21)17-11-28-32(13-17)12-16-4-2-8-27-10-16/h1-2,4,6-8,10-11,13,15,18H,3,5,9,12,14,26H2,(H,29,33)/t18-/m1/s1.
What are the key properties of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-2-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56940877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).