(7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide

C20H28N6O — CID 118911638

IUPAC(7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)NC2CCCCC2)CC12CC2
InChIInChI=1S/C20H28N6O/c1-25(18-15-7-10-21-17(15)22-13-23-18)16-11-26(12-20(16)8-9-20)19(27)24-14-5-3-2-4-6-14/h7,10,13-14,16H,2-6,8-9,11-12H2,1H3,(H,24,27)(H,21,22,23)/t16-/m0/s1
InChIKeyZBOAMZJNYRMYAY-INIZCTEOSA-N
MW368.49 g/mol
LogP2.90
Rot. Bonds3

About (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide

(7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 118911638) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound Name(7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID118911638
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name(7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)NC2CCCCC2)CC12CC2
InChIInChI=1S/C20H28N6O/c1-25(18-15-7-10-21-17(15)22-13-23-18)16-11-26(12-20(16)8-9-20)19(27)24-14-5-3-2-4-6-14/h7,10,13-14,16H,2-6,8-9,11-12H2,1H3,(H,24,27)(H,21,22,23)/t16-/m0/s1
InChIKeyZBOAMZJNYRMYAY-INIZCTEOSA-N
XLogP2.90
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide (CID 118911638) is (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide is CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)NC2CCCCC2)CC12CC2.
What is the InChIKey of (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is ZBOAMZJNYRMYAY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N6O/c1-25(18-15-7-10-21-17(15)22-13-23-18)16-11-26(12-20(16)8-9-20)19(27)24-14-5-3-2-4-6-14/h7,10,13-14,16H,2-6,8-9,11-12H2,1H3,(H,24,27)(H,21,22,23)/t16-/m0/s1.
What are the key properties of (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide?
(7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-cyclohexyl-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 118911638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).