N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine

C32H38N6 — CID 68760501

IUPACN-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
SMILESCC(C)Nc1cc(-c2cncc(-c3ccc(CN4CCN(C(C)C)CC4)cc3)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C32H38N6/c1-23(2)35-32-19-27(18-31(36-32)30-7-5-6-12-34-30)29-17-28(20-33-21-29)26-10-8-25(9-11-26)22-37-13-15-38(16-14-37)24(3)4/h5-12,17-21,23-24H,13-16,22H2,1-4H3,(H,35,36)
InChIKeyVLXCKNDWMMTHAJ-UHFFFAOYSA-N
MW506.70 g/mol
LogP6.22
Rot. Bonds8

About N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine

N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine (PubChem CID 68760501) has the molecular formula C32H38N6 and a molecular weight of 506.70 g/mol. Its IUPAC name is N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
PubChem CID68760501
Molecular FormulaC32H38N6
Molecular Weight506.70 g/mol
Exact Mass506.32
IUPAC NameN-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
SMILESCC(C)Nc1cc(-c2cncc(-c3ccc(CN4CCN(C(C)C)CC4)cc3)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C32H38N6/c1-23(2)35-32-19-27(18-31(36-32)30-7-5-6-12-34-30)29-17-28(20-33-21-29)26-10-8-25(9-11-26)22-37-13-15-38(16-14-37)24(3)4/h5-12,17-21,23-24H,13-16,22H2,1-4H3,(H,35,36)
InChIKeyVLXCKNDWMMTHAJ-UHFFFAOYSA-N
XLogP6.22
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine (CID 68760501) is N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine is CC(C)Nc1cc(-c2cncc(-c3ccc(CN4CCN(C(C)C)CC4)cc3)c2)cc(-c2ccccn2)n1.
What is the InChIKey of N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The InChIKey is VLXCKNDWMMTHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6/c1-23(2)35-32-19-27(18-31(36-32)30-7-5-6-12-34-30)29-17-28(20-33-21-29)26-10-8-25(9-11-26)22-37-13-15-38(16-14-37)24(3)4/h5-12,17-21,23-24H,13-16,22H2,1-4H3,(H,35,36).
What are the key properties of N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine has a molecular weight of 506.70 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 68760501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).