1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C18H17N7OS — CID 71555618

IUPAC1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)NCc4csc(C)n4)ncc23)ccn1
InChIInChI=1S/C18H17N7OS/c1-10-5-12(3-4-19-10)17-14-8-20-16(6-15(14)24-25-17)23-18(26)21-7-13-9-27-11(2)22-13/h3-6,8-9H,7H2,1-2H3,(H,24,25)(H2,20,21,23,26)
InChIKeyGBDLOCVRAMNDDW-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.41
Rot. Bonds4

About 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 71555618) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID71555618
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)NCc4csc(C)n4)ncc23)ccn1
InChIInChI=1S/C18H17N7OS/c1-10-5-12(3-4-19-10)17-14-8-20-16(6-15(14)24-25-17)23-18(26)21-7-13-9-27-11(2)22-13/h3-6,8-9H,7H2,1-2H3,(H,24,25)(H2,20,21,23,26)
InChIKeyGBDLOCVRAMNDDW-UHFFFAOYSA-N
XLogP3.41
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 71555618) is 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4csc(C)n4)ncc23)ccn1.
What is the InChIKey of 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is GBDLOCVRAMNDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-10-5-12(3-4-19-10)17-14-8-20-16(6-15(14)24-25-17)23-18(26)21-7-13-9-27-11(2)22-13/h3-6,8-9H,7H2,1-2H3,(H,24,25)(H2,20,21,23,26).
What are the key properties of 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 379.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 71555618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).