N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine

C19H21ClFN5 — CID 159741641

IUPACN-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine
SMILESNC[C@H]1CCCC[C@@H]1Nc1cnc2c(n1)CN=C2c1cccc(Cl)c1F
InChIInChI=1S/C19H21ClFN5/c20-13-6-3-5-12(17(13)21)18-19-15(9-23-18)26-16(10-24-19)25-14-7-2-1-4-11(14)8-22/h3,5-6,10-11,14H,1-2,4,7-9,22H2,(H,25,26)/t11-,14+/m1/s1
InChIKeyNOGNZANAIQJNIY-RISCZKNCSA-N
MW373.86 g/mol
LogP3.55
Rot. Bonds4

About N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine

N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine (PubChem CID 159741641) has the molecular formula C19H21ClFN5 and a molecular weight of 373.86 g/mol. Its IUPAC name is N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine
PubChem CID159741641
Molecular FormulaC19H21ClFN5
Molecular Weight373.86 g/mol
Exact Mass373.15
IUPAC NameN-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine
SMILESNC[C@H]1CCCC[C@@H]1Nc1cnc2c(n1)CN=C2c1cccc(Cl)c1F
InChIInChI=1S/C19H21ClFN5/c20-13-6-3-5-12(17(13)21)18-19-15(9-23-18)26-16(10-24-19)25-14-7-2-1-4-11(14)8-22/h3,5-6,10-11,14H,1-2,4,7-9,22H2,(H,25,26)/t11-,14+/m1/s1
InChIKeyNOGNZANAIQJNIY-RISCZKNCSA-N
XLogP3.55
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-2-N-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]cyclohexane-1,2-diamine
CID 138513830
2-[[2-(aminomethyl)cyclopentyl]amino]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089432
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
CID 79727754
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119986380
4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine
CID 114488377
N-[2-(aminomethyl)cyclopentyl]-5-chloropyrimidin-4-amine
CID 105370016
N-[2-(aminomethyl)cyclopentyl]-5-tert-butylpyridin-2-amine
CID 114011644
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120711122
2-(3-chloro-2-fluorophenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
CID 45255360
7-[[2-(aminomethyl)cyclohexyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283574
2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 114488701

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine?
The IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine (CID 159741641) is N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine is NC[C@H]1CCCC[C@@H]1Nc1cnc2c(n1)CN=C2c1cccc(Cl)c1F.
What is the InChIKey of N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine?
The InChIKey is NOGNZANAIQJNIY-RISCZKNCSA-N. The full InChI is InChI=1S/C19H21ClFN5/c20-13-6-3-5-12(17(13)21)18-19-15(9-23-18)26-16(10-24-19)25-14-7-2-1-4-11(14)8-22/h3,5-6,10-11,14H,1-2,4,7-9,22H2,(H,25,26)/t11-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine?
N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine has a molecular weight of 373.86 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-7-(3-chloro-2-fluorophenyl)-5H-pyrrolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 159741641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).