(5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one

C26H29N5O — CID 59388263

IUPAC(5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn(CC4CC4)nc3c2)N=C1N
InChIInChI=1S/C26H29N5O/c1-26(21-12-11-20-15-31(14-16-3-4-16)29-22(20)13-21)23(24(32)30(2)25(27)28-26)19-9-7-18(8-10-19)17-5-6-17/h7-13,15-17,23H,3-6,14H2,1-2H3,(H2,27,28)/t23-,26+/m0/s1
InChIKeyRHJXLHQMAWTKGG-JYFHCDHNSA-N
MW427.55 g/mol
LogP4.11
Rot. Bonds5

About (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one

(5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59388263) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59388263
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name(5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn(CC4CC4)nc3c2)N=C1N
InChIInChI=1S/C26H29N5O/c1-26(21-12-11-20-15-31(14-16-3-4-16)29-22(20)13-21)23(24(32)30(2)25(27)28-26)19-9-7-18(8-10-19)17-5-6-17/h7-13,15-17,23H,3-6,14H2,1-2H3,(H2,27,28)/t23-,26+/m0/s1
InChIKeyRHJXLHQMAWTKGG-JYFHCDHNSA-N
XLogP4.11
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 59388263) is (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn(CC4CC4)nc3c2)N=C1N.
What is the InChIKey of (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is RHJXLHQMAWTKGG-JYFHCDHNSA-N. The full InChI is InChI=1S/C26H29N5O/c1-26(21-12-11-20-15-31(14-16-3-4-16)29-22(20)13-21)23(24(32)30(2)25(27)28-26)19-9-7-18(8-10-19)17-5-6-17/h7-13,15-17,23H,3-6,14H2,1-2H3,(H2,27,28)/t23-,26+/m0/s1.
What are the key properties of (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
(5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 427.55 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).