2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine

C27H29ClFN7 — CID 146662236

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine
SMILESCN1CCN(C2CCN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)CC2)CC1
InChIInChI=1S/C27H29ClFN7/c1-34-10-12-36(13-11-34)19-6-8-35(9-7-19)20-15-26-25(30-16-20)5-4-24(32-26)22-17-31-33-27(22)21-14-18(28)2-3-23(21)29/h2-5,14-17,19H,6-13H2,1H3,(H,31,33)
InChIKeyFDCFGOSMGYHPSM-UHFFFAOYSA-N
MW506.03 g/mol
LogP4.70
Rot. Bonds4

About 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine (PubChem CID 146662236) has the molecular formula C27H29ClFN7 and a molecular weight of 506.03 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine
PubChem CID146662236
Molecular FormulaC27H29ClFN7
Molecular Weight506.03 g/mol
Exact Mass505.22
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine
SMILESCN1CCN(C2CCN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)CC2)CC1
InChIInChI=1S/C27H29ClFN7/c1-34-10-12-36(13-11-34)19-6-8-35(9-7-19)20-15-26-25(30-16-20)5-4-24(32-26)22-17-31-33-27(22)21-14-18(28)2-3-23(21)29/h2-5,14-17,19H,6-13H2,1H3,(H,31,33)
InChIKeyFDCFGOSMGYHPSM-UHFFFAOYSA-N
XLogP4.70
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.03
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine (CID 146662236) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine is CN1CCN(C2CCN(c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)CC2)CC1.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine?
The InChIKey is FDCFGOSMGYHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFN7/c1-34-10-12-36(13-11-34)19-6-8-35(9-7-19)20-15-26-25(30-16-20)5-4-24(32-26)22-17-31-33-27(22)21-14-18(28)2-3-23(21)29/h2-5,14-17,19H,6-13H2,1H3,(H,31,33).
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine has a molecular weight of 506.03 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1,5-naphthyridine is sourced from PubChem (CID 146662236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).