6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine

C29H28ClFN8 — CID 146661867

IUPAC6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
SMILESCC(C)N1CCN(c2ccc(Nc3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1
InChIInChI=1S/C29H28ClFN8/c1-18(2)38-9-11-39(12-10-38)21-4-8-28(33-16-21)35-20-14-27-26(32-15-20)7-6-25(36-27)23-17-34-37-29(23)22-13-19(30)3-5-24(22)31/h3-8,13-18H,9-12H2,1-2H3,(H,33,35)(H,34,37)
InChIKeyWVLRMMQUXNULDQ-UHFFFAOYSA-N
MW543.05 g/mol
LogP6.15
Rot. Bonds6

About 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine (PubChem CID 146661867) has the molecular formula C29H28ClFN8 and a molecular weight of 543.05 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
PubChem CID146661867
Molecular FormulaC29H28ClFN8
Molecular Weight543.05 g/mol
Exact Mass542.21
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
SMILESCC(C)N1CCN(c2ccc(Nc3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1
InChIInChI=1S/C29H28ClFN8/c1-18(2)38-9-11-39(12-10-38)21-4-8-28(33-16-21)35-20-14-27-26(32-15-20)7-6-25(36-27)23-17-34-37-29(23)22-13-19(30)3-5-24(22)31/h3-8,13-18H,9-12H2,1-2H3,(H,33,35)(H,34,37)
InChIKeyWVLRMMQUXNULDQ-UHFFFAOYSA-N
XLogP6.15
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.05
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine (CID 146661867) is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine is CC(C)N1CCN(c2ccc(Nc3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The InChIKey is WVLRMMQUXNULDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClFN8/c1-18(2)38-9-11-39(12-10-38)21-4-8-28(33-16-21)35-20-14-27-26(32-15-20)7-6-25(36-27)23-17-34-37-29(23)22-13-19(30)3-5-24(22)31/h3-8,13-18H,9-12H2,1-2H3,(H,33,35)(H,34,37).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine has a molecular weight of 543.05 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).