N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine

C17H13F2N5S — CID 71246586

IUPACN-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2cc3c(cn2)cnn3Cc2cc(F)ccc2F)sn1
InChIInChI=1S/C17H13F2N5S/c1-10-4-17(25-23-10)22-16-6-15-12(7-20-16)8-21-24(15)9-11-5-13(18)2-3-14(11)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyLMKIZNYYYODQBW-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.27
Rot. Bonds4

About N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine

N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 71246586) has the molecular formula C17H13F2N5S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID71246586
Molecular FormulaC17H13F2N5S
Molecular Weight357.39 g/mol
Exact Mass357.09
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2cc3c(cn2)cnn3Cc2cc(F)ccc2F)sn1
InChIInChI=1S/C17H13F2N5S/c1-10-4-17(25-23-10)22-16-6-15-12(7-20-16)8-21-24(15)9-11-5-13(18)2-3-14(11)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyLMKIZNYYYODQBW-UHFFFAOYSA-N
XLogP4.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine (CID 71246586) is N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2cc3c(cn2)cnn3Cc2cc(F)ccc2F)sn1.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is LMKIZNYYYODQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5S/c1-10-4-17(25-23-10)22-16-6-15-12(7-20-16)8-21-24(15)9-11-5-13(18)2-3-14(11)19/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine?
N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 357.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 71246586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).