5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

C22H26FN7OS — CID 67437382

IUPAC5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCCC(N)CC1
InChIInChI=1S/C22H26FN7OS/c23-16-6-2-1-5-15(16)21-28-18(19(25)32-21)20(31)27-17-12-26-30(14-7-8-14)22(17)29-10-3-4-13(24)9-11-29/h1-2,5-6,12-14H,3-4,7-11,24-25H2,(H,27,31)
InChIKeySNLFBDHZXOYFNZ-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.63
Rot. Bonds5

About 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67437382) has the molecular formula C22H26FN7OS and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID67437382
Molecular FormulaC22H26FN7OS
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCCC(N)CC1
InChIInChI=1S/C22H26FN7OS/c23-16-6-2-1-5-15(16)21-28-18(19(25)32-21)20(31)27-17-12-26-30(14-7-8-14)22(17)29-10-3-4-13(24)9-11-29/h1-2,5-6,12-14H,3-4,7-11,24-25H2,(H,27,31)
InChIKeySNLFBDHZXOYFNZ-UHFFFAOYSA-N
XLogP3.63
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482603
5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-cyclopropylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86680113
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 58465102
5-amino-N-[5-(5-amino-3-fluoroazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123691125
5-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482333
N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 58464905
5-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 74983243
3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482385
3-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482604
5-amino-2-(2-fluorophenyl)-N-[5-(4-hydroxy-4-methylazepan-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464757
5-amino-N-[5-[(3R)-3-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482781
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 58465021

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 67437382) is 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is Nc1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCCC(N)CC1.
What is the InChIKey of 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SNLFBDHZXOYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7OS/c23-16-6-2-1-5-15(16)21-28-18(19(25)32-21)20(31)27-17-12-26-30(14-7-8-14)22(17)29-10-3-4-13(24)9-11-29/h1-2,5-6,12-14H,3-4,7-11,24-25H2,(H,27,31).
What are the key properties of 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67437382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).