7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine

C26H27ClFN7O — CID 146611928

IUPAC7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccc2ncc(Cl)c(-c3cnn(C4CCNCC4)c3)c2n1
InChIInChI=1S/C26H27ClFN7O/c1-36-26-19(11-17(28)13-31-26)22-3-2-10-34(22)23-5-4-21-25(33-23)24(20(27)14-30-21)16-12-32-35(15-16)18-6-8-29-9-7-18/h4-5,11-15,18,22,29H,2-3,6-10H2,1H3/t22-/m1/s1
InChIKeyNPKBXVFOOBLFCN-JOCHJYFZSA-N
MW508.00 g/mol
LogP4.96
Rot. Bonds5

About 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine

7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine (PubChem CID 146611928) has the molecular formula C26H27ClFN7O and a molecular weight of 508.00 g/mol. Its IUPAC name is 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine
PubChem CID146611928
Molecular FormulaC26H27ClFN7O
Molecular Weight508.00 g/mol
Exact Mass507.19
IUPAC Name7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccc2ncc(Cl)c(-c3cnn(C4CCNCC4)c3)c2n1
InChIInChI=1S/C26H27ClFN7O/c1-36-26-19(11-17(28)13-31-26)22-3-2-10-34(22)23-5-4-21-25(33-23)24(20(27)14-30-21)16-12-32-35(15-16)18-6-8-29-9-7-18/h4-5,11-15,18,22,29H,2-3,6-10H2,1H3/t22-/m1/s1
InChIKeyNPKBXVFOOBLFCN-JOCHJYFZSA-N
XLogP4.96
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.00
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?
The IUPAC name of 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine (CID 146611928) is 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine is COc1ncc(F)cc1[C@H]1CCCN1c1ccc2ncc(Cl)c(-c3cnn(C4CCNCC4)c3)c2n1.
What is the InChIKey of 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?
The InChIKey is NPKBXVFOOBLFCN-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27ClFN7O/c1-36-26-19(11-17(28)13-31-26)22-3-2-10-34(22)23-5-4-21-25(33-23)24(20(27)14-30-21)16-12-32-35(15-16)18-6-8-29-9-7-18/h4-5,11-15,18,22,29H,2-3,6-10H2,1H3/t22-/m1/s1.
What are the key properties of 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?
7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 508.00 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 146611928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).