(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide

C23H25N7OS — CID 73353862

IUPAC(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
SMILESCNc1cc(-c2cc(NC(=O)[C@H](Cc3ccccc3)NCc3cncs3)n(C)n2)ccn1
InChIInChI=1S/C23H25N7OS/c1-24-21-11-17(8-9-26-21)19-12-22(30(2)29-19)28-23(31)20(10-16-6-4-3-5-7-16)27-14-18-13-25-15-32-18/h3-9,11-13,15,20,27H,10,14H2,1-2H3,(H,24,26)(H,28,31)/t20-/m0/s1
InChIKeySVSIQPATYGZVGT-FQEVSTJZSA-N
MW447.57 g/mol
LogP3.32
Rot. Bonds9

About (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide

(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide (PubChem CID 73353862) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
PubChem CID73353862
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC Name(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
SMILESCNc1cc(-c2cc(NC(=O)[C@H](Cc3ccccc3)NCc3cncs3)n(C)n2)ccn1
InChIInChI=1S/C23H25N7OS/c1-24-21-11-17(8-9-26-21)19-12-22(30(2)29-19)28-23(31)20(10-16-6-4-3-5-7-16)27-14-18-13-25-15-32-18/h3-9,11-13,15,20,27H,10,14H2,1-2H3,(H,24,26)(H,28,31)/t20-/m0/s1
InChIKeySVSIQPATYGZVGT-FQEVSTJZSA-N
XLogP3.32
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(1,3-Thiazol-2-Yl)urea
CID 51035417
(2S)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497439
(2S)-3-(4-fluorophenyl)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-2-(2H-triazol-4-ylmethylamino)propanamide
CID 67497915
(2S)-3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497939
(2S)-2-((1H-tetrazol-5-yl)methylamino)-3-(4-fluorophenyl)-N-(1-methyl-3-(2-(methylamino)pyridin-4-yl)-1H-pyrazol-5-yl)propanamide
CID 67497965
(2S)-N-[5-[2-(methylamino)-4-pyridinyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 69641837
4-(4-methylpiperazin-1-yl)-N-[5-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]benzamide
CID 71658864
4-Phenyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567070
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide?
The IUPAC name of (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide (CID 73353862) is (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide is CNc1cc(-c2cc(NC(=O)[C@H](Cc3ccccc3)NCc3cncs3)n(C)n2)ccn1.
What is the InChIKey of (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide?
The InChIKey is SVSIQPATYGZVGT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-24-21-11-17(8-9-26-21)19-12-22(30(2)29-19)28-23(31)20(10-16-6-4-3-5-7-16)27-14-18-13-25-15-32-18/h3-9,11-13,15,20,27H,10,14H2,1-2H3,(H,24,26)(H,28,31)/t20-/m0/s1.
What are the key properties of (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide?
(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide has a molecular weight of 447.57 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide is sourced from PubChem (CID 73353862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).