[4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol

C20H26N8O — CID 142484305

IUPAC[4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol
SMILESNCC1(CO)CCN(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1
InChIInChI=1S/C20H26N8O/c21-12-20(13-29)5-9-27(10-6-20)16-11-23-17-18(24-16)25-26-19(17)28-8-2-3-14-15(28)4-1-7-22-14/h1,4,7,11,29H,2-3,5-6,8-10,12-13,21H2,(H,24,25,26)
InChIKeyNVIAILDQVYWLGW-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.37
Rot. Bonds4

About [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol

[4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol (PubChem CID 142484305) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol
PubChem CID142484305
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name[4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol
SMILESNCC1(CO)CCN(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1
InChIInChI=1S/C20H26N8O/c21-12-20(13-29)5-9-27(10-6-20)16-11-23-17-18(24-16)25-26-19(17)28-8-2-3-14-15(28)4-1-7-22-14/h1,4,7,11,29H,2-3,5-6,8-10,12-13,21H2,(H,24,25,26)
InChIKeyNVIAILDQVYWLGW-UHFFFAOYSA-N
XLogP1.37
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol (CID 142484305) is [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol is NCC1(CO)CCN(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)CC1.
What is the InChIKey of [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol?
The InChIKey is NVIAILDQVYWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c21-12-20(13-29)5-9-27(10-6-20)16-11-23-17-18(24-16)25-26-19(17)28-8-2-3-14-15(28)4-1-7-22-14/h1,4,7,11,29H,2-3,5-6,8-10,12-13,21H2,(H,24,25,26).
What are the key properties of [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol?
[4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol has a molecular weight of 394.48 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 142484305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).