[4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane

C30H33N6P — CID 170176771

IUPAC[4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(P)c3c1ccn3C)CN(c1ncc(C)cn1)CC2
InChIInChI=1S/C30H33N6P/c1-5-20-8-7-9-21(6-2)27(20)36-28(22-10-11-26(37)29-23(22)12-14-34(29)4)24-18-35(15-13-25(24)33-36)30-31-16-19(3)17-32-30/h7-12,14,16-17H,5-6,13,15,18,37H2,1-4H3
InChIKeyNTLDMEQXZXYLLC-UHFFFAOYSA-N
MW508.61 g/mol
LogP5.32
Rot. Bonds5

About [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane

[4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane (PubChem CID 170176771) has the molecular formula C30H33N6P and a molecular weight of 508.61 g/mol. Its IUPAC name is [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane.

Molecular Properties

Compound Name[4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane
PubChem CID170176771
Molecular FormulaC30H33N6P
Molecular Weight508.61 g/mol
Exact Mass508.25
IUPAC Name[4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(P)c3c1ccn3C)CN(c1ncc(C)cn1)CC2
InChIInChI=1S/C30H33N6P/c1-5-20-8-7-9-21(6-2)27(20)36-28(22-10-11-26(37)29-23(22)12-14-34(29)4)24-18-35(15-13-25(24)33-36)30-31-16-19(3)17-32-30/h7-12,14,16-17H,5-6,13,15,18,37H2,1-4H3
InChIKeyNTLDMEQXZXYLLC-UHFFFAOYSA-N
XLogP5.32
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.61
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane?
The IUPAC name of [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane (CID 170176771) is [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane.
What is the SMILES notation for [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane?
The canonical SMILES for [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(P)c3c1ccn3C)CN(c1ncc(C)cn1)CC2.
What is the InChIKey of [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane?
The InChIKey is NTLDMEQXZXYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N6P/c1-5-20-8-7-9-21(6-2)27(20)36-28(22-10-11-26(37)29-23(22)12-14-34(29)4)24-18-35(15-13-25(24)33-36)30-31-16-19(3)17-32-30/h7-12,14,16-17H,5-6,13,15,18,37H2,1-4H3.
What are the key properties of [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane?
[4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane has a molecular weight of 508.61 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-diethylphenyl)-5-(5-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-methylindol-7-yl]phosphane is sourced from PubChem (CID 170176771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).