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

C25H24ClF2N7 — CID 146611837

IUPAC2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESFc1cnc(Cl)c([C@H]2CCCN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1
InChIInChI=1S/C25H24ClF2N7/c26-25-18(10-16(27)12-31-25)21-2-1-9-34(21)22-4-3-20-24(33-22)23(19(28)13-30-20)15-11-32-35(14-15)17-5-7-29-8-6-17/h3-4,10-14,17,21,29H,1-2,5-9H2/t21-/m1/s1
InChIKeyIMQAMMDXPOBGOO-OAQYLSRUSA-N
MW495.97 g/mol
LogP5.09
Rot. Bonds4

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

2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine (PubChem CID 146611837) has the molecular formula C25H24ClF2N7 and a molecular weight of 495.97 g/mol. Its IUPAC name is 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine
PubChem CID146611837
Molecular FormulaC25H24ClF2N7
Molecular Weight495.97 g/mol
Exact Mass495.17
IUPAC Name2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESFc1cnc(Cl)c([C@H]2CCCN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1
InChIInChI=1S/C25H24ClF2N7/c26-25-18(10-16(27)12-31-25)21-2-1-9-34(21)22-4-3-20-24(33-22)23(19(28)13-30-20)15-11-32-35(14-15)17-5-7-29-8-6-17/h3-4,10-14,17,21,29H,1-2,5-9H2/t21-/m1/s1
InChIKeyIMQAMMDXPOBGOO-OAQYLSRUSA-N
XLogP5.09
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.97
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?
The IUPAC name of 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine (CID 146611837) is 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine is Fc1cnc(Cl)c([C@H]2CCCN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1.
What is the InChIKey of 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?
The InChIKey is IMQAMMDXPOBGOO-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24ClF2N7/c26-25-18(10-16(27)12-31-25)21-2-1-9-34(21)22-4-3-20-24(33-22)23(19(28)13-30-20)15-11-32-35(14-15)17-5-7-29-8-6-17/h3-4,10-14,17,21,29H,1-2,5-9H2/t21-/m1/s1.
What are the key properties of 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?
2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 495.97 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 146611837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).