N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine

C27H28N8O — CID 164612482

IUPACN-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine
SMILESCC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCOCC6)ncnc5c4)n3)ccc2nn1C
InChIInChI=1S/C27H28N8O/c1-17(2)25-21-14-18(4-7-23(21)33-34(25)3)22-8-9-28-27(32-22)31-19-5-6-20-24(15-19)29-16-30-26(20)35-10-12-36-13-11-35/h4-9,14-17H,10-13H2,1-3H3,(H,28,31,32)
InChIKeyBNKDFJAWTSUGGL-UHFFFAOYSA-N
MW480.58 g/mol
LogP4.68
Rot. Bonds5

About N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine

N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine (PubChem CID 164612482) has the molecular formula C27H28N8O and a molecular weight of 480.58 g/mol. Its IUPAC name is N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine.

Molecular Properties

Compound NameN-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine
PubChem CID164612482
Molecular FormulaC27H28N8O
Molecular Weight480.58 g/mol
Exact Mass480.24
IUPAC NameN-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine
SMILESCC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCOCC6)ncnc5c4)n3)ccc2nn1C
InChIInChI=1S/C27H28N8O/c1-17(2)25-21-14-18(4-7-23(21)33-34(25)3)22-8-9-28-27(32-22)31-19-5-6-20-24(15-19)29-16-30-26(20)35-10-12-36-13-11-35/h4-9,14-17H,10-13H2,1-3H3,(H,28,31,32)
InChIKeyBNKDFJAWTSUGGL-UHFFFAOYSA-N
XLogP4.68
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine?
The IUPAC name of N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine (CID 164612482) is N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine.
What is the SMILES notation for N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine?
The canonical SMILES for N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine is CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCOCC6)ncnc5c4)n3)ccc2nn1C.
What is the InChIKey of N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine?
The InChIKey is BNKDFJAWTSUGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O/c1-17(2)25-21-14-18(4-7-23(21)33-34(25)3)22-8-9-28-27(32-22)31-19-5-6-20-24(15-19)29-16-30-26(20)35-10-12-36-13-11-35/h4-9,14-17H,10-13H2,1-3H3,(H,28,31,32).
What are the key properties of N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine?
N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine has a molecular weight of 480.58 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-4-morpholin-4-ylquinazolin-7-amine is sourced from PubChem (CID 164612482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).