1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

C18H19F2N5O2 — CID 123824778

IUPAC1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCc1nc(NC(=O)NC(C)c2ccccc2)cc2[nH]nc(OC(C)(F)F)c12
InChIInChI=1S/C18H19F2N5O2/c1-10(12-7-5-4-6-8-12)22-17(26)23-14-9-13-15(11(2)21-14)16(25-24-13)27-18(3,19)20/h4-10H,1-3H3,(H,24,25)(H2,21,22,23,26)
InChIKeyUKRYKUOVQUFLGC-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.14
Rot. Bonds5

About 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 123824778) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
PubChem CID123824778
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCc1nc(NC(=O)NC(C)c2ccccc2)cc2[nH]nc(OC(C)(F)F)c12
InChIInChI=1S/C18H19F2N5O2/c1-10(12-7-5-4-6-8-12)22-17(26)23-14-9-13-15(11(2)21-14)16(25-24-13)27-18(3,19)20/h4-10H,1-3H3,(H,24,25)(H2,21,22,23,26)
InChIKeyUKRYKUOVQUFLGC-UHFFFAOYSA-N
XLogP4.14
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 123824778) is 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is Cc1nc(NC(=O)NC(C)c2ccccc2)cc2[nH]nc(OC(C)(F)F)c12.
What is the InChIKey of 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The InChIKey is UKRYKUOVQUFLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-10(12-7-5-4-6-8-12)22-17(26)23-14-9-13-15(11(2)21-14)16(25-24-13)27-18(3,19)20/h4-10H,1-3H3,(H,24,25)(H2,21,22,23,26).
What are the key properties of 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 375.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-difluoroethoxy)-4-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 123824778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).