1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea

C19H21F2N7O — CID 154752212

IUPAC1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(c2ncnc3cc(F)c(F)cc23)C1
InChIInChI=1S/C19H21F2N7O/c1-2-22-19(29)26-16-8-25-27-17(16)11-4-3-5-28(9-11)18-12-6-13(20)14(21)7-15(12)23-10-24-18/h6-8,10-11H,2-5,9H2,1H3,(H,25,27)(H2,22,26,29)
InChIKeySCSBEEZCQVISII-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.16
Rot. Bonds4

About 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea

1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea (PubChem CID 154752212) has the molecular formula C19H21F2N7O and a molecular weight of 401.42 g/mol. Its IUPAC name is 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
PubChem CID154752212
Molecular FormulaC19H21F2N7O
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC Name1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(c2ncnc3cc(F)c(F)cc23)C1
InChIInChI=1S/C19H21F2N7O/c1-2-22-19(29)26-16-8-25-27-17(16)11-4-3-5-28(9-11)18-12-6-13(20)14(21)7-15(12)23-10-24-18/h6-8,10-11H,2-5,9H2,1H3,(H,25,27)(H2,22,26,29)
InChIKeySCSBEEZCQVISII-UHFFFAOYSA-N
XLogP3.16
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474205
1-[5-[(3R)-1-butylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 97344690
1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474634
1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474474
1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474473
1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 97344399
N-[5-[(3S)-1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97343926
1-[2,4-difluoro-6-(1-methylpyrrolidin-1-ium-1-yl)phenyl]-3-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea
CID 123880156
1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 86882662
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 75474239
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea?
The IUPAC name of 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea (CID 154752212) is 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea.
What is the SMILES notation for 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea?
The canonical SMILES for 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea is CCNC(=O)Nc1cn[nH]c1C1CCCN(c2ncnc3cc(F)c(F)cc23)C1.
What is the InChIKey of 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea?
The InChIKey is SCSBEEZCQVISII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O/c1-2-22-19(29)26-16-8-25-27-17(16)11-4-3-5-28(9-11)18-12-6-13(20)14(21)7-15(12)23-10-24-18/h6-8,10-11H,2-5,9H2,1H3,(H,25,27)(H2,22,26,29).
What are the key properties of 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea?
1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea has a molecular weight of 401.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea is sourced from PubChem (CID 154752212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).