N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine

C29H28N8 — CID 68983538

IUPACN-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3ccc4c(ccn4-c4ccncc4)c3)n2)cnc1N1CC2CC1CN2C
InChIInChI=1S/C29H28N8/c1-19-13-22(16-32-28(19)37-18-24-15-25(37)17-35(24)2)33-29-31-11-7-26(34-29)20-3-4-27-21(14-20)8-12-36(27)23-5-9-30-10-6-23/h3-14,16,24-25H,15,17-18H2,1-2H3,(H,31,33,34)
InChIKeySCZZJZXURVZLPV-UHFFFAOYSA-N
MW488.60 g/mol
LogP4.82
Rot. Bonds5

About N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine

N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine (PubChem CID 68983538) has the molecular formula C29H28N8 and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine
PubChem CID68983538
Molecular FormulaC29H28N8
Molecular Weight488.60 g/mol
Exact Mass488.24
IUPAC NameN-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3ccc4c(ccn4-c4ccncc4)c3)n2)cnc1N1CC2CC1CN2C
InChIInChI=1S/C29H28N8/c1-19-13-22(16-32-28(19)37-18-24-15-25(37)17-35(24)2)33-29-31-11-7-26(34-29)20-3-4-27-21(14-20)8-12-36(27)23-5-9-30-10-6-23/h3-14,16,24-25H,15,17-18H2,1-2H3,(H,31,33,34)
InChIKeySCZZJZXURVZLPV-UHFFFAOYSA-N
XLogP4.82
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine (CID 68983538) is N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3ccc4c(ccn4-c4ccncc4)c3)n2)cnc1N1CC2CC1CN2C.
What is the InChIKey of N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine?
The InChIKey is SCZZJZXURVZLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8/c1-19-13-22(16-32-28(19)37-18-24-15-25(37)17-35(24)2)33-29-31-11-7-26(34-29)20-3-4-27-21(14-20)8-12-36(27)23-5-9-30-10-6-23/h3-14,16,24-25H,15,17-18H2,1-2H3,(H,31,33,34).
What are the key properties of N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine?
N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine has a molecular weight of 488.60 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]-4-(1-pyridin-4-ylindol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 68983538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).