7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine

C35H32ClFN8 — CID 157485781

IUPAC7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1C1=NCC=C1c1ccc2ncc(N3CCn4nc(N5CCN(Cc6ccccc6)CC5)cc4C3)cc2n1
InChIInChI=1S/C35H32ClFN8/c36-25-6-7-30(37)29(18-25)35-28(10-11-38-35)31-8-9-32-33(40-31)19-26(21-39-32)44-16-17-45-27(23-44)20-34(41-45)43-14-12-42(13-15-43)22-24-4-2-1-3-5-24/h1-10,18-21H,11-17,22-23H2
InChIKeyBWRUACUFBGGHPL-UHFFFAOYSA-N
MW619.15 g/mol
LogP5.85
Rot. Bonds6

About 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine

7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine (PubChem CID 157485781) has the molecular formula C35H32ClFN8 and a molecular weight of 619.15 g/mol. Its IUPAC name is 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine
PubChem CID157485781
Molecular FormulaC35H32ClFN8
Molecular Weight619.15 g/mol
Exact Mass618.24
IUPAC Name7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1C1=NCC=C1c1ccc2ncc(N3CCn4nc(N5CCN(Cc6ccccc6)CC5)cc4C3)cc2n1
InChIInChI=1S/C35H32ClFN8/c36-25-6-7-30(37)29(18-25)35-28(10-11-38-35)31-8-9-32-33(40-31)19-26(21-39-32)44-16-17-45-27(23-44)20-34(41-45)43-14-12-42(13-15-43)22-24-4-2-1-3-5-24/h1-10,18-21H,11-17,22-23H2
InChIKeyBWRUACUFBGGHPL-UHFFFAOYSA-N
XLogP5.85
TPSA65.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.15
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine with MolForge

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
(S)-1-(3-chloro-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 72715541
US20240018122, Example 167
CID 171034415
2-(3-Chlorophenyl)-9-[4-(2-pyrazinyl)-1-piperazinyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 1441832
7-(4-Benzyl-piperazin-1-yl)-3-[4-(4-chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine
CID 44371996
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671255
6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 91799540
6-Chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464144
US11420970, Example 249
CID 156073197
4-(3-chlorophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)pyridazino[4,5-b]indolizin-1-amine
CID 46884096
US10023570, Example 455
CID 124199387
US10023570, Example 647
CID 124199745

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine?
The IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine (CID 157485781) is 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine is Fc1ccc(Cl)cc1C1=NCC=C1c1ccc2ncc(N3CCn4nc(N5CCN(Cc6ccccc6)CC5)cc4C3)cc2n1.
What is the InChIKey of 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine?
The InChIKey is BWRUACUFBGGHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32ClFN8/c36-25-6-7-30(37)29(18-25)35-28(10-11-38-35)31-8-9-32-33(40-31)19-26(21-39-32)44-16-17-45-27(23-44)20-34(41-45)43-14-12-42(13-15-43)22-24-4-2-1-3-5-24/h1-10,18-21H,11-17,22-23H2.
What are the key properties of 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine?
7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine has a molecular weight of 619.15 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-benzylpiperazin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 157485781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).