4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine

C16H19ClN8O — CID 134474008

IUPAC4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
SMILESCC1(CN)CCN(c2cnc3c(Oc4ccnc(N)c4Cl)n[nH]c3n2)C1
InChIInChI=1S/C16H19ClN8O/c1-16(7-18)3-5-25(8-16)10-6-21-12-14(22-10)23-24-15(12)26-9-2-4-20-13(19)11(9)17/h2,4,6H,3,5,7-8,18H2,1H3,(H2,19,20)(H,22,23,24)
InChIKeyGSLANHZXIRNAEE-UHFFFAOYSA-N
MW374.84 g/mol
LogP1.95
Rot. Bonds4

About 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine

4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine (PubChem CID 134474008) has the molecular formula C16H19ClN8O and a molecular weight of 374.84 g/mol. Its IUPAC name is 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
PubChem CID134474008
Molecular FormulaC16H19ClN8O
Molecular Weight374.84 g/mol
Exact Mass374.14
IUPAC Name4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
SMILESCC1(CN)CCN(c2cnc3c(Oc4ccnc(N)c4Cl)n[nH]c3n2)C1
InChIInChI=1S/C16H19ClN8O/c1-16(7-18)3-5-25(8-16)10-6-21-12-14(22-10)23-24-15(12)26-9-2-4-20-13(19)11(9)17/h2,4,6H,3,5,7-8,18H2,1H3,(H2,19,20)(H,22,23,24)
InChIKeyGSLANHZXIRNAEE-UHFFFAOYSA-N
XLogP1.95
TPSA131.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine?
The IUPAC name of 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine (CID 134474008) is 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine.
What is the SMILES notation for 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine?
The canonical SMILES for 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine is CC1(CN)CCN(c2cnc3c(Oc4ccnc(N)c4Cl)n[nH]c3n2)C1.
What is the InChIKey of 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine?
The InChIKey is GSLANHZXIRNAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN8O/c1-16(7-18)3-5-25(8-16)10-6-21-12-14(22-10)23-24-15(12)26-9-2-4-20-13(19)11(9)17/h2,4,6H,3,5,7-8,18H2,1H3,(H2,19,20)(H,22,23,24).
What are the key properties of 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine?
4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine has a molecular weight of 374.84 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine is sourced from PubChem (CID 134474008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).