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

C24H26FN7O3 — CID 129110909

IUPAC[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
SMILESCOc1cnc2[nH]cc(NC(=O)Oc3cnn(Cc4ccc(F)cc4)c3)c2c1N1CCC[C@@H](N)C1
InChIInChI=1S/C24H26FN7O3/c1-34-20-11-28-23-21(22(20)31-8-2-3-17(26)13-31)19(10-27-23)30-24(33)35-18-9-29-32(14-18)12-15-4-6-16(25)7-5-15/h4-7,9-11,14,17H,2-3,8,12-13,26H2,1H3,(H,27,28)(H,30,33)/t17-/m1/s1
InChIKeyWNSDYRNINQKUPQ-QGZVFWFLSA-N
MW479.52 g/mol
LogP3.49
Rot. Bonds6

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

[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate (PubChem CID 129110909) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
PubChem CID129110909
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
SMILESCOc1cnc2[nH]cc(NC(=O)Oc3cnn(Cc4ccc(F)cc4)c3)c2c1N1CCC[C@@H](N)C1
InChIInChI=1S/C24H26FN7O3/c1-34-20-11-28-23-21(22(20)31-8-2-3-17(26)13-31)19(10-27-23)30-24(33)35-18-9-29-32(14-18)12-15-4-6-16(25)7-5-15/h4-7,9-11,14,17H,2-3,8,12-13,26H2,1H3,(H,27,28)(H,30,33)/t17-/m1/s1
InChIKeyWNSDYRNINQKUPQ-QGZVFWFLSA-N
XLogP3.49
TPSA123.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate 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-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate?
The IUPAC name of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate (CID 129110909) is [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate is COc1cnc2[nH]cc(NC(=O)Oc3cnn(Cc4ccc(F)cc4)c3)c2c1N1CCC[C@@H](N)C1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate?
The InChIKey is WNSDYRNINQKUPQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-34-20-11-28-23-21(22(20)31-8-2-3-17(26)13-31)19(10-27-23)30-24(33)35-18-9-29-32(14-18)12-15-4-6-16(25)7-5-15/h4-7,9-11,14,17H,2-3,8,12-13,26H2,1H3,(H,27,28)(H,30,33)/t17-/m1/s1.
What are the key properties of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate?
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate has a molecular weight of 479.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate is sourced from PubChem (CID 129110909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).