1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

C18H20N6O — CID 124950054

IUPAC1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCNc1cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)nc(C)n1
InChIInChI=1S/C18H20N6O/c1-11-20-14(10-16(19-2)21-11)15-8-5-9-24(15)18(25)17-12-6-3-4-7-13(12)22-23-17/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,22,23)(H,19,20,21)/t15-/m0/s1
InChIKeyCYRNPMFUKPTZDS-HNNXBMFYSA-N
MW336.40 g/mol
LogP2.68
Rot. Bonds3

About 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 124950054) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
PubChem CID124950054
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCNc1cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)nc(C)n1
InChIInChI=1S/C18H20N6O/c1-11-20-14(10-16(19-2)21-11)15-8-5-9-24(15)18(25)17-12-6-3-4-7-13(12)22-23-17/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,22,23)(H,19,20,21)/t15-/m0/s1
InChIKeyCYRNPMFUKPTZDS-HNNXBMFYSA-N
XLogP2.68
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275
1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 42946266
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110113681
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 110113693
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124953053
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124975862
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124976851
(E)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110091124

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 124950054) is 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is CNc1cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)nc(C)n1.
What is the InChIKey of 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is CYRNPMFUKPTZDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-20-14(10-16(19-2)21-11)15-8-5-9-24(15)18(25)17-12-6-3-4-7-13(12)22-23-17/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,22,23)(H,19,20,21)/t15-/m0/s1.
What are the key properties of 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124950054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).