(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide

C23H21ClFN7O — CID 90413496

IUPAC(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cnc3ncn(Cc4cccc(F)c4)c3n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C23H21ClFN7O/c24-18-10-27-20(31-23(33)15-4-2-6-26-9-15)8-17(18)19-11-28-21-22(30-19)32(13-29-21)12-14-3-1-5-16(25)7-14/h1,3,5,7-8,10-11,13,15,26H,2,4,6,9,12H2,(H,27,31,33)/t15-/m1/s1
InChIKeyPXVDVCMYGBAQSK-OAHLLOKOSA-N
MW465.92 g/mol
LogP3.67
Rot. Bonds5

About (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90413496) has the molecular formula C23H21ClFN7O and a molecular weight of 465.92 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90413496
Molecular FormulaC23H21ClFN7O
Molecular Weight465.92 g/mol
Exact Mass465.15
IUPAC Name(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cnc3ncn(Cc4cccc(F)c4)c3n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C23H21ClFN7O/c24-18-10-27-20(31-23(33)15-4-2-6-26-9-15)8-17(18)19-11-28-21-22(30-19)32(13-29-21)12-14-3-1-5-16(25)7-14/h1,3,5,7-8,10-11,13,15,26H,2,4,6,9,12H2,(H,27,31,33)/t15-/m1/s1
InChIKeyPXVDVCMYGBAQSK-OAHLLOKOSA-N
XLogP3.67
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90413496) is (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cnc3ncn(Cc4cccc(F)c4)c3n2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is PXVDVCMYGBAQSK-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21ClFN7O/c24-18-10-27-20(31-23(33)15-4-2-6-26-9-15)8-17(18)19-11-28-21-22(30-19)32(13-29-21)12-14-3-1-5-16(25)7-14/h1,3,5,7-8,10-11,13,15,26H,2,4,6,9,12H2,(H,27,31,33)/t15-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 465.92 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyrazin-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90413496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).