5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine

C40H44Cl2N10 — CID 138627187

IUPAC5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine
SMILESCCCc1cc(-n2cc(-c3ncc(NC4CCCC4)cc3Cl)cn2)c(-c2cc(-n3cc(-c4ncc(NC(C)C)cc4Cl)cn3)cc(CCC)n2)cn1
InChIInChI=1S/C40H44Cl2N10/c1-5-9-29-16-38(52-24-27(19-47-52)40-36(42)15-32(21-45-40)49-28-11-7-8-12-28)34(22-43-29)37-17-33(13-30(50-37)10-6-2)51-23-26(18-46-51)39-35(41)14-31(20-44-39)48-25(3)4/h13-25,28,48-49H,5-12H2,1-4H3
InChIKeyKRSOTWJKNFGZAH-UHFFFAOYSA-N
MW735.77 g/mol
LogP10.03
Rot. Bonds13

About 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine

5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine (PubChem CID 138627187) has the molecular formula C40H44Cl2N10 and a molecular weight of 735.77 g/mol. Its IUPAC name is 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine
PubChem CID138627187
Molecular FormulaC40H44Cl2N10
Molecular Weight735.77 g/mol
Exact Mass734.31
IUPAC Name5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine
SMILESCCCc1cc(-n2cc(-c3ncc(NC4CCCC4)cc3Cl)cn2)c(-c2cc(-n3cc(-c4ncc(NC(C)C)cc4Cl)cn3)cc(CCC)n2)cn1
InChIInChI=1S/C40H44Cl2N10/c1-5-9-29-16-38(52-24-27(19-47-52)40-36(42)15-32(21-45-40)49-28-11-7-8-12-28)34(22-43-29)37-17-33(13-30(50-37)10-6-2)51-23-26(18-46-51)39-35(41)14-31(20-44-39)48-25(3)4/h13-25,28,48-49H,5-12H2,1-4H3
InChIKeyKRSOTWJKNFGZAH-UHFFFAOYSA-N
XLogP10.03
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.77
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine?
The IUPAC name of 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine (CID 138627187) is 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine.
What is the SMILES notation for 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine?
The canonical SMILES for 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine is CCCc1cc(-n2cc(-c3ncc(NC4CCCC4)cc3Cl)cn2)c(-c2cc(-n3cc(-c4ncc(NC(C)C)cc4Cl)cn3)cc(CCC)n2)cn1.
What is the InChIKey of 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine?
The InChIKey is KRSOTWJKNFGZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44Cl2N10/c1-5-9-29-16-38(52-24-27(19-47-52)40-36(42)15-32(21-45-40)49-28-11-7-8-12-28)34(22-43-29)37-17-33(13-30(50-37)10-6-2)51-23-26(18-46-51)39-35(41)14-31(20-44-39)48-25(3)4/h13-25,28,48-49H,5-12H2,1-4H3.
What are the key properties of 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine?
5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine has a molecular weight of 735.77 g/mol, XLogP of 10.03, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[1-[5-[4-[4-[3-chloro-5-(propan-2-ylamino)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-2-propyl-4-pyridinyl]pyrazol-4-yl]-N-cyclopentylpyridin-3-amine is sourced from PubChem (CID 138627187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).