5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide

C25H33ClFN7O2 — CID 71127963

IUPAC5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC1COCCN1c1cc(N2CCC(F)CC2)cc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)n1
InChIInChI=1S/C25H33ClFN7O2/c1-17-16-36-11-10-34(17)23-14-20(31-4-2-19(27)3-5-31)13-22(30-23)32-6-8-33(9-7-32)25-21(26)12-18(15-29-25)24(28)35/h12-15,17,19H,2-11,16H2,1H3,(H2,28,35)
InChIKeySVYVRLNKIASVNA-UHFFFAOYSA-N
MW518.04 g/mol
LogP2.72
Rot. Bonds5

About 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 71127963) has the molecular formula C25H33ClFN7O2 and a molecular weight of 518.04 g/mol. Its IUPAC name is 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID71127963
Molecular FormulaC25H33ClFN7O2
Molecular Weight518.04 g/mol
Exact Mass517.24
IUPAC Name5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC1COCCN1c1cc(N2CCC(F)CC2)cc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)n1
InChIInChI=1S/C25H33ClFN7O2/c1-17-16-36-11-10-34(17)23-14-20(31-4-2-19(27)3-5-31)13-22(30-23)32-6-8-33(9-7-32)25-21(26)12-18(15-29-25)24(28)35/h12-15,17,19H,2-11,16H2,1H3,(H2,28,35)
InChIKeySVYVRLNKIASVNA-UHFFFAOYSA-N
XLogP2.72
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.04
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-methylpiperidin-1-yl)methanone
CID 23725758
(S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-methylpiperidin-1-yl)methanone
CID 23725754
5-chloro-N-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 44527543
US10023562, Example 98
CID 130265932
5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-(methoxymethyl)piperazin-1-yl)-N-methylnicotinamide
CID 53321186
(S)-5-chloro-N-methyl-6-(3-methyl-4-(1-(pyridin-2-ylmethyl)piperidin-4-yl)piperazin-1-yl)nicotinamide
CID 53322974
2-chloro-N-{[2-(morpholin-4-yl)pyridin-4-yl]methyl}pyridine-3-carboxamide
CID 33028506
6-{4-[(3,5-Dichloropyridin-4-yl)methyl]piperazin-1-yl}nicotinamide
CID 50976512
5-Chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 56816145
(6-Chloro-3-pyridinyl)-[4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 134798080
4-(1-{[6-(4-Ethylpiperazin-1-yl)pyridin-3-yl]carbonyl}piperidin-4-yl)morpholine
CID 56740317
2-[4-(6-Chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134798301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide (CID 71127963) is 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide is CC1COCCN1c1cc(N2CCC(F)CC2)cc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)n1.
What is the InChIKey of 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is SVYVRLNKIASVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClFN7O2/c1-17-16-36-11-10-34(17)23-14-20(31-4-2-19(27)3-5-31)13-22(30-23)32-6-8-33(9-7-32)25-21(26)12-18(15-29-25)24(28)35/h12-15,17,19H,2-11,16H2,1H3,(H2,28,35).
What are the key properties of 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 518.04 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71127963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).