2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine

C43H30Cl2F4N10 — CID 158581244

IUPAC2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine
SMILESCN1CC=C(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)C1.Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(C4=CCNC4)cc3n2)cc1Cl
InChIInChI=1S/C22H16ClF2N5.C21H14ClF2N5/c1-30-5-4-12(11-30)13-6-21-20(26-9-13)3-2-19(28-21)15-10-27-29-22(15)14-7-16(23)18(25)8-17(14)24;22-15-6-13(16(23)7-17(15)24)21-14(10-27-29-21)18-1-2-19-20(28-18)5-12(9-26-19)11-3-4-25-8-11/h2-4,6-10H,5,11H2,1H3,(H,27,29);1-3,5-7,9-10,25H,4,8H2,(H,27,29)
InChIKeyHTGVFNAXIVMLQO-UHFFFAOYSA-N
MW833.68 g/mol
LogP9.55
Rot. Bonds6

About 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine

2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine (PubChem CID 158581244) has the molecular formula C43H30Cl2F4N10 and a molecular weight of 833.68 g/mol. Its IUPAC name is 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine
PubChem CID158581244
Molecular FormulaC43H30Cl2F4N10
Molecular Weight833.68 g/mol
Exact Mass832.20
IUPAC Name2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine
SMILESCN1CC=C(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)C1.Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(C4=CCNC4)cc3n2)cc1Cl
InChIInChI=1S/C22H16ClF2N5.C21H14ClF2N5/c1-30-5-4-12(11-30)13-6-21-20(26-9-13)3-2-19(28-21)15-10-27-29-22(15)14-7-16(23)18(25)8-17(14)24;22-15-6-13(16(23)7-17(15)24)21-14(10-27-29-21)18-1-2-19-20(28-18)5-12(9-26-19)11-3-4-25-8-11/h2-4,6-10H,5,11H2,1H3,(H,27,29);1-3,5-7,9-10,25H,4,8H2,(H,27,29)
InChIKeyHTGVFNAXIVMLQO-UHFFFAOYSA-N
XLogP9.55
TPSA124.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.68
LogP ≤ 59.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-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
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
N-(2-(5-chloro-2-fluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
6-chloro-N-[4-[4-(pyrazol-1-ylmethyl)triazol-1-yl]butyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162658362
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671255
6-chloro-N-[2-[4-(pyrazol-1-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162670488
N-(2-(5-chloro-2-fluorophenyl)-6-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670231
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridin-1-amine
CID 58532258
N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine
CID 68930993
4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine
CID 70660108
2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine
CID 70660131
N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 123140072

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine (CID 158581244) is 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine is CN1CC=C(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)C1.Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(C4=CCNC4)cc3n2)cc1Cl.
What is the InChIKey of 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine?
The InChIKey is HTGVFNAXIVMLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N5.C21H14ClF2N5/c1-30-5-4-12(11-30)13-6-21-20(26-9-13)3-2-19(28-21)15-10-27-29-22(15)14-7-16(23)18(25)8-17(14)24;22-15-6-13(16(23)7-17(15)24)21-14(10-27-29-21)18-1-2-19-20(28-18)5-12(9-26-19)11-3-4-25-8-11/h2-4,6-10H,5,11H2,1H3,(H,27,29);1-3,5-7,9-10,25H,4,8H2,(H,27,29).
What are the key properties of 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine?
2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine has a molecular weight of 833.68 g/mol, XLogP of 9.55, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(2,5-dihydro-1H-pyrrol-3-yl)-1,5-naphthyridine;2-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine is sourced from PubChem (CID 158581244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).