(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine

C19H21ClN6 — CID 134368037

IUPAC(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
SMILESN[C@@H]1CCC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2
InChIInChI=1S/C19H21ClN6/c20-13-4-2-1-3-12(13)16-17-18(25-24-16)23-15(11-22-17)26-9-7-19(8-10-26)6-5-14(19)21/h1-4,11,14H,5-10,21H2,(H,23,24,25)/t14-/m1/s1
InChIKeyGJIZSLQYWSBOIZ-CQSZACIVSA-N
MW368.87 g/mol
LogP3.38
Rot. Bonds2

About (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine

(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine (PubChem CID 134368037) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
PubChem CID134368037
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
SMILESN[C@@H]1CCC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2
InChIInChI=1S/C19H21ClN6/c20-13-4-2-1-3-12(13)16-17-18(25-24-16)23-15(11-22-17)26-9-7-19(8-10-26)6-5-14(19)21/h1-4,11,14H,5-10,21H2,(H,23,24,25)/t14-/m1/s1
InChIKeyGJIZSLQYWSBOIZ-CQSZACIVSA-N
XLogP3.38
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane
CID 145413066
1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]azepan-4-amine
CID 134379139
1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(hydroxymethyl)piperidin-4-ol
CID 155766778
(3S,4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 155537362
benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methyl]carbamate
CID 142311724
[(1S,6R,7R)-3-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-phenyl-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 171358483
[3-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 164850819
1-[3-(5-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134379003
8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3,3-difluoro-8-azaspiro[4.5]decane
CID 163448968
1-[1-[3-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine
CID 166992559
(4S)-8-[3-(2-chloro-3-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(4S)-8-[3-(2-chloro-6-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(4S)-8-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(4S)-8-[3-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-2-oxa-8-azaspiro[4.5]decane;sulfane
CID 161046894
8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decane
CID 166992568

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine?
The IUPAC name of (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine (CID 134368037) is (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine.
What is the SMILES notation for (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine?
The canonical SMILES for (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine is N[C@@H]1CCC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2.
What is the InChIKey of (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine?
The InChIKey is GJIZSLQYWSBOIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClN6/c20-13-4-2-1-3-12(13)16-17-18(25-24-16)23-15(11-22-17)26-9-7-19(8-10-26)6-5-14(19)21/h1-4,11,14H,5-10,21H2,(H,23,24,25)/t14-/m1/s1.
What are the key properties of (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine?
(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine has a molecular weight of 368.87 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine is sourced from PubChem (CID 134368037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).