[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

C24H29N9S — CID 142484723

IUPAC[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESC[C@H]1CCN(c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)c2ccc(-c3nccs3)nc21
InChIInChI=1S/C24H29N9S/c1-15-5-9-33(17-4-3-16(28-19(15)17)23-26-8-12-34-23)22-20-21(30-31-22)29-18(13-27-20)32-10-6-24(2,14-25)7-11-32/h3-4,8,12-13,15H,5-7,9-11,14,25H2,1-2H3,(H,29,30,31)/t15-/m0/s1
InChIKeyLAOUXWQZCPSNAU-HNNXBMFYSA-N
MW475.63 g/mol
LogP4.08
Rot. Bonds4

About [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (PubChem CID 142484723) has the molecular formula C24H29N9S and a molecular weight of 475.63 g/mol. Its IUPAC name is [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
PubChem CID142484723
Molecular FormulaC24H29N9S
Molecular Weight475.63 g/mol
Exact Mass475.23
IUPAC Name[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESC[C@H]1CCN(c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)c2ccc(-c3nccs3)nc21
InChIInChI=1S/C24H29N9S/c1-15-5-9-33(17-4-3-16(28-19(15)17)23-26-8-12-34-23)22-20-21(30-31-22)29-18(13-27-20)32-10-6-24(2,14-25)7-11-32/h3-4,8,12-13,15H,5-7,9-11,14,25H2,1-2H3,(H,29,30,31)/t15-/m0/s1
InChIKeyLAOUXWQZCPSNAU-HNNXBMFYSA-N
XLogP4.08
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (CID 142484723) is [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is C[C@H]1CCN(c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)c2ccc(-c3nccs3)nc21.
What is the InChIKey of [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The InChIKey is LAOUXWQZCPSNAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H29N9S/c1-15-5-9-33(17-4-3-16(28-19(15)17)23-26-8-12-34-23)22-20-21(30-31-22)29-18(13-27-20)32-10-6-24(2,14-25)7-11-32/h3-4,8,12-13,15H,5-7,9-11,14,25H2,1-2H3,(H,29,30,31)/t15-/m0/s1.
What are the key properties of [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine has a molecular weight of 475.63 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 142484723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).