N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H23N5O2S — CID 118911601

IUPACN-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CC12CC2
InChIInChI=1S/C23H23N5O2S/c1-27(22-19-8-11-24-21(19)25-15-26-22)20-13-28(14-23(20)9-10-23)31(29,30)18-7-6-16-4-2-3-5-17(16)12-18/h2-8,11-12,15,20H,9-10,13-14H2,1H3,(H,24,25,26)/t20-/m0/s1
InChIKeyBWIYKGGUYWCIKC-FQEVSTJZSA-N
MW433.54 g/mol
LogP3.40
Rot. Bonds4

About N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118911601) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118911601
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CC12CC2
InChIInChI=1S/C23H23N5O2S/c1-27(22-19-8-11-24-21(19)25-15-26-22)20-13-28(14-23(20)9-10-23)31(29,30)18-7-6-16-4-2-3-5-17(16)12-18/h2-8,11-12,15,20H,9-10,13-14H2,1H3,(H,24,25,26)/t20-/m0/s1
InChIKeyBWIYKGGUYWCIKC-FQEVSTJZSA-N
XLogP3.40
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118911601) is N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CC12CC2.
What is the InChIKey of N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BWIYKGGUYWCIKC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-27(22-19-8-11-24-21(19)25-15-26-22)20-13-28(14-23(20)9-10-23)31(29,30)18-7-6-16-4-2-3-5-17(16)12-18/h2-8,11-12,15,20H,9-10,13-14H2,1H3,(H,24,25,26)/t20-/m0/s1.
What are the key properties of N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 433.54 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(7R)-5-naphthalen-2-ylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118911601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).