N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

C21H17ClFN5OS — CID 44814958

IUPACN-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNCC1(NC(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)CCc2c(F)cccc21
InChIInChI=1S/C21H17ClFN5OS/c22-18-17(13-10-25-28-9-2-1-6-16(13)28)26-20(30-18)19(29)27-21(11-24)8-7-12-14(21)4-3-5-15(12)23/h1-6,9-10H,7-8,11,24H2,(H,27,29)
InChIKeyLLUXAUOFBIIBRX-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.78
Rot. Bonds4

About N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide

N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 44814958) has the molecular formula C21H17ClFN5OS and a molecular weight of 441.92 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID44814958
Molecular FormulaC21H17ClFN5OS
Molecular Weight441.92 g/mol
Exact Mass441.08
IUPAC NameN-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
SMILESNCC1(NC(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)CCc2c(F)cccc21
InChIInChI=1S/C21H17ClFN5OS/c22-18-17(13-10-25-28-9-2-1-6-16(13)28)26-20(30-18)19(29)27-21(11-24)8-7-12-14(21)4-3-5-15(12)23/h1-6,9-10H,7-8,11,24H2,(H,27,29)
InChIKeyLLUXAUOFBIIBRX-UHFFFAOYSA-N
XLogP3.78
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide (CID 44814958) is N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is NCC1(NC(=O)c2nc(-c3cnn4ccccc34)c(Cl)s2)CCc2c(F)cccc21.
What is the InChIKey of N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is LLUXAUOFBIIBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5OS/c22-18-17(13-10-25-28-9-2-1-6-16(13)28)26-20(30-18)19(29)27-21(11-24)8-7-12-14(21)4-3-5-15(12)23/h1-6,9-10H,7-8,11,24H2,(H,27,29).
What are the key properties of N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide?
N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-fluoro-2,3-dihydroinden-1-yl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 44814958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).