1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen

C17H25F2N5O3 — CID 144599035

IUPAC1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(OC(F)F)c2cn1)C1=CCCC=C1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H19F2N5O3.3H2/c1-26-9-13(10-5-3-2-4-6-10)21-17(25)22-14-7-12-11(8-20-14)15(24-23-12)27-16(18)19;;;/h3,5-8,13,16H,2,4,9H2,1H3,(H,23,24)(H2,20,21,22,25);3*1H/t13-;;;/m1.../s1
InChIKeyPFNZSBHXZUUADH-BXUUEFRQSA-N
MW385.42 g/mol
LogP3.71
Rot. Bonds7

About 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen

1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen (PubChem CID 144599035) has the molecular formula C17H25F2N5O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen.

Molecular Properties

Compound Name1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen
PubChem CID144599035
Molecular FormulaC17H25F2N5O3
Molecular Weight385.42 g/mol
Exact Mass385.19
IUPAC Name1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(OC(F)F)c2cn1)C1=CCCC=C1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H19F2N5O3.3H2/c1-26-9-13(10-5-3-2-4-6-10)21-17(25)22-14-7-12-11(8-20-14)15(24-23-12)27-16(18)19;;;/h3,5-8,13,16H,2,4,9H2,1H3,(H,23,24)(H2,20,21,22,25);3*1H/t13-;;;/m1.../s1
InChIKeyPFNZSBHXZUUADH-BXUUEFRQSA-N
XLogP3.71
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen?
The IUPAC name of 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen (CID 144599035) is 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen.
What is the SMILES notation for 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen?
The canonical SMILES for 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen is COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC(F)F)c2cn1)C1=CCCC=C1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen?
The InChIKey is PFNZSBHXZUUADH-BXUUEFRQSA-N. The full InChI is InChI=1S/C17H19F2N5O3.3H2/c1-26-9-13(10-5-3-2-4-6-10)21-17(25)22-14-7-12-11(8-20-14)15(24-23-12)27-16(18)19;;;/h3,5-8,13,16H,2,4,9H2,1H3,(H,23,24)(H2,20,21,22,25);3*1H/t13-;;;/m1.../s1.
What are the key properties of 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen?
1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen has a molecular weight of 385.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-methoxyethyl]-3-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea;molecular hydrogen is sourced from PubChem (CID 144599035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).