(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

C25H33N9O2 — CID 135388716

IUPAC(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2c(n1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C25H33N9O2/c1-14-6-9-34(17-5-4-16(24(35)27-3)29-19(14)17)23-20-22(31-32-23)30-18(12-28-20)33-10-7-25(8-11-33)13-36-15(2)21(25)26/h4-5,12,14-15,21H,6-11,13,26H2,1-3H3,(H,27,35)(H,30,31,32)/t14-,15-,21+/m0/s1
InChIKeyVTOOXAWZSYFRTR-VFCRVFHLSA-N
MW491.60 g/mol
LogP2.09
Rot. Bonds3

About (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (PubChem CID 135388716) has the molecular formula C25H33N9O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
PubChem CID135388716
Molecular FormulaC25H33N9O2
Molecular Weight491.60 g/mol
Exact Mass491.28
IUPAC Name(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2c(n1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C25H33N9O2/c1-14-6-9-34(17-5-4-16(24(35)27-3)29-19(14)17)23-20-22(31-32-23)30-18(12-28-20)33-10-7-25(8-11-33)13-36-15(2)21(25)26/h4-5,12,14-15,21H,6-11,13,26H2,1-3H3,(H,27,35)(H,30,31,32)/t14-,15-,21+/m0/s1
InChIKeyVTOOXAWZSYFRTR-VFCRVFHLSA-N
XLogP2.09
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (CID 135388716) is (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is CNC(=O)c1ccc2c(n1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12.
What is the InChIKey of (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The InChIKey is VTOOXAWZSYFRTR-VFCRVFHLSA-N. The full InChI is InChI=1S/C25H33N9O2/c1-14-6-9-34(17-5-4-16(24(35)27-3)29-19(14)17)23-20-22(31-32-23)30-18(12-28-20)33-10-7-25(8-11-33)13-36-15(2)21(25)26/h4-5,12,14-15,21H,6-11,13,26H2,1-3H3,(H,27,35)(H,30,31,32)/t14-,15-,21+/m0/s1.
What are the key properties of (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,8-dimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 135388716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).