N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C20H24N6 — CID 90819143

IUPACN-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(CCN2C[C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)[C@@H]3C2)cc1
InChIInChI=1S/C20H24N6/c1-2-4-14(5-3-1)8-9-26-11-15-6-7-18(17(15)12-26)24-19-16-10-23-25-20(16)22-13-21-19/h1-5,10,13,15,17-18H,6-9,11-12H2,(H2,21,22,23,24,25)/t15-,17-,18+/m1/s1
InChIKeyLRRPRVKDOLUVRN-NXHRZFHOSA-N
MW348.45 g/mol
LogP2.72
Rot. Bonds5

About N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 90819143) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID90819143
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(CCN2C[C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)[C@@H]3C2)cc1
InChIInChI=1S/C20H24N6/c1-2-4-14(5-3-1)8-9-26-11-15-6-7-18(17(15)12-26)24-19-16-10-23-25-20(16)22-13-21-19/h1-5,10,13,15,17-18H,6-9,11-12H2,(H2,21,22,23,24,25)/t15-,17-,18+/m1/s1
InChIKeyLRRPRVKDOLUVRN-NXHRZFHOSA-N
XLogP2.72
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959650
N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 59834846
N-[3,3-difluoro-1-[2-[4-(fluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 122445184
4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71975881
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine
CID 18447335
5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60971520
1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
CID 133342484
(3aR,4R,6aR)-2-benzyl-N-(1,3-thiazol-5-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 99854119
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
1-(4-phenylbutyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 13011931
N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 69276306
N-[(3S,4S)-1-[2-[4-(difluoromethyl)phenyl]-2,2-difluoroethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959649

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 90819143) is N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccc(CCN2C[C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)[C@@H]3C2)cc1.
What is the InChIKey of N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LRRPRVKDOLUVRN-NXHRZFHOSA-N. The full InChI is InChI=1S/C20H24N6/c1-2-4-14(5-3-1)8-9-26-11-15-6-7-18(17(15)12-26)24-19-16-10-23-25-20(16)22-13-21-19/h1-5,10,13,15,17-18H,6-9,11-12H2,(H2,21,22,23,24,25)/t15-,17-,18+/m1/s1.
What are the key properties of N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4S,6aS)-2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90819143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).