(6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one

C24H35N5O — CID 167370527

IUPAC(6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Nc1ncc3c(n1)N(C1CCCC1)[C@]1(CCNC1=O)C3)C2
InChIInChI=1S/C24H35N5O/c1-22(2)16-8-9-23(22,3)18(12-16)27-21-26-14-15-13-24(10-11-25-20(24)30)29(19(15)28-21)17-6-4-5-7-17/h14,16-18H,4-13H2,1-3H3,(H,25,30)(H,26,27,28)/t16-,18+,23+,24-/m1/s1
InChIKeyHCFZNQBICGDQPS-FHSQQOBZSA-N
MW409.58 g/mol
LogP3.67
Rot. Bonds3

About (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one

(6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one (PubChem CID 167370527) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name(6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
PubChem CID167370527
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name(6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Nc1ncc3c(n1)N(C1CCCC1)[C@]1(CCNC1=O)C3)C2
InChIInChI=1S/C24H35N5O/c1-22(2)16-8-9-23(22,3)18(12-16)27-21-26-14-15-13-24(10-11-25-20(24)30)29(19(15)28-21)17-6-4-5-7-17/h14,16-18H,4-13H2,1-3H3,(H,25,30)(H,26,27,28)/t16-,18+,23+,24-/m1/s1
InChIKeyHCFZNQBICGDQPS-FHSQQOBZSA-N
XLogP3.67
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The IUPAC name of (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one (CID 167370527) is (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one.
What is the SMILES notation for (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The canonical SMILES for (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Nc1ncc3c(n1)N(C1CCCC1)[C@]1(CCNC1=O)C3)C2.
What is the InChIKey of (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
The InChIKey is HCFZNQBICGDQPS-FHSQQOBZSA-N. The full InChI is InChI=1S/C24H35N5O/c1-22(2)16-8-9-23(22,3)18(12-16)27-21-26-14-15-13-24(10-11-25-20(24)30)29(19(15)28-21)17-6-4-5-7-17/h14,16-18H,4-13H2,1-3H3,(H,25,30)(H,26,27,28)/t16-,18+,23+,24-/m1/s1.
What are the key properties of (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one?
(6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one has a molecular weight of 409.58 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-cyclopentyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 167370527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).