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

C25H33ClFN7O2 — CID 59665565

IUPAC5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1COCCN1c1cc(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)/t17-/m1/s1
InChIKeySVYVRLNKIASVNA-QGZVFWFLSA-N
MW518.04 g/mol
LogP2.72
Rot. Bonds5

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

5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 59665565) 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-[(3R)-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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID59665565
Molecular FormulaC25H33ClFN7O2
Molecular Weight518.04 g/mol
Exact Mass517.24
IUPAC Name5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1COCCN1c1cc(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)/t17-/m1/s1
InChIKeySVYVRLNKIASVNA-QGZVFWFLSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide (CID 59665565) is 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-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-[(3R)-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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide is C[C@@H]1COCCN1c1cc(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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is SVYVRLNKIASVNA-QGZVFWFLSA-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)/t17-/m1/s1.
What are the key properties of 5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-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-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59665565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).