[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate

C18H13ClFN5O2 — CID 129110837

IUPAC[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
SMILESO=C(Nc1c[nH]c2ncc(Cl)cc12)Oc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H13ClFN5O2/c19-12-5-15-16(8-22-17(15)21-6-12)24-18(26)27-14-7-23-25(10-14)9-11-1-3-13(20)4-2-11/h1-8,10H,9H2,(H,21,22)(H,24,26)
InChIKeyVIZUBYGLVUSWMF-UHFFFAOYSA-N
MW385.79 g/mol
LogP4.21
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate

[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate (PubChem CID 129110837) has the molecular formula C18H13ClFN5O2 and a molecular weight of 385.79 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
PubChem CID129110837
Molecular FormulaC18H13ClFN5O2
Molecular Weight385.79 g/mol
Exact Mass385.07
IUPAC Name[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
SMILESO=C(Nc1c[nH]c2ncc(Cl)cc12)Oc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H13ClFN5O2/c19-12-5-15-16(8-22-17(15)21-6-12)24-18(26)27-14-7-23-25(10-14)9-11-1-3-13(20)4-2-11/h1-8,10H,9H2,(H,21,22)(H,24,26)
InChIKeyVIZUBYGLVUSWMF-UHFFFAOYSA-N
XLogP4.21
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzylpyrazol-4-yl) N-[5-bromo-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
CID 129110834
(1-benzylpyrazol-4-yl) N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
CID 129110906
N-[4-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]oxyethyl]phenyl]acetamide
CID 167974623
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
1-benzyl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71679960
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
4-[(4-chloropyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19490702
1-benzyl-N-[5-[4-[2-(dimethylamino)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 156576917
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 167467575
N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The IUPAC name of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate (CID 129110837) is [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate is O=C(Nc1c[nH]c2ncc(Cl)cc12)Oc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
The InChIKey is VIZUBYGLVUSWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O2/c19-12-5-15-16(8-22-17(15)21-6-12)24-18(26)27-14-7-23-25(10-14)9-11-1-3-13(20)4-2-11/h1-8,10H,9H2,(H,21,22)(H,24,26).
What are the key properties of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate?
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate has a molecular weight of 385.79 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate is sourced from PubChem (CID 129110837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).