(1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C23H23ClN8O — CID 155774367

IUPAC(1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nccc(Oc2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc23)c1Cl
InChIInChI=1S/C23H23ClN8O/c24-17-15(5-8-27-20(17)26)33-22-18-21(30-31-22)29-16(12-28-18)32-9-6-23(7-10-32)11-13-3-1-2-4-14(13)19(23)25/h1-5,8,12,19H,6-7,9-11,25H2,(H2,26,27)(H,29,30,31)/t19-/m0/s1
InChIKeyMONLWCWJNHJINU-IBGZPJMESA-N
MW462.95 g/mol
LogP3.62
Rot. Bonds3

About (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774367) has the molecular formula C23H23ClN8O and a molecular weight of 462.95 g/mol. Its IUPAC name is (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774367
Molecular FormulaC23H23ClN8O
Molecular Weight462.95 g/mol
Exact Mass462.17
IUPAC Name(1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESNc1nccc(Oc2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc23)c1Cl
InChIInChI=1S/C23H23ClN8O/c24-17-15(5-8-27-20(17)26)33-22-18-21(30-31-22)29-16(12-28-18)32-9-6-23(7-10-32)11-13-3-1-2-4-14(13)19(23)25/h1-5,8,12,19H,6-7,9-11,25H2,(H2,26,27)(H,29,30,31)/t19-/m0/s1
InChIKeyMONLWCWJNHJINU-IBGZPJMESA-N
XLogP3.62
TPSA131.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

4-[[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloro-1-methylpyridin-2-one
CID 147401059
(1S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148835096
4-N-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine;dihydrochloride
CID 155774103
4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
CID 134474008
(1S)-1'-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385229
(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 172853248
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methylpyrimidin-4-one
CID 146537294
3-(2-amino-3-chloro-4-pyridinyl)-7-[(7S)-7-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1H-pteridine-2,4-dione
CID 171473476
2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol
CID 163833910
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385295
(3S,4S)-3-methyl-8-[3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 134473769

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774367) is (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nccc(Oc2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc23)c1Cl.
What is the InChIKey of (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is MONLWCWJNHJINU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23ClN8O/c24-17-15(5-8-27-20(17)26)33-22-18-21(30-31-22)29-16(12-28-18)32-9-6-23(7-10-32)11-13-3-1-2-4-14(13)19(23)25/h1-5,8,12,19H,6-7,9-11,25H2,(H2,26,27)(H,29,30,31)/t19-/m0/s1.
What are the key properties of (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 462.95 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-[3-[(2-amino-3-chloro-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).