5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

C21H27N9O — CID 135387992

IUPAC5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESCC1(CN)CCN(c2cnc3c(N4CCCc5nc(C(N)=O)ccc54)n[nH]c3n2)CC1
InChIInChI=1S/C21H27N9O/c1-21(12-22)6-9-29(10-7-21)16-11-24-17-19(26-16)27-28-20(17)30-8-2-3-13-15(30)5-4-14(25-13)18(23)31/h4-5,11H,2-3,6-10,12,22H2,1H3,(H2,23,31)(H,26,27,28)
InChIKeyPTHZDPRLEODSCA-UHFFFAOYSA-N
MW421.51 g/mol
LogP1.50
Rot. Bonds4

About 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (PubChem CID 135387992) has the molecular formula C21H27N9O and a molecular weight of 421.51 g/mol. Its IUPAC name is 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
PubChem CID135387992
Molecular FormulaC21H27N9O
Molecular Weight421.51 g/mol
Exact Mass421.23
IUPAC Name5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESCC1(CN)CCN(c2cnc3c(N4CCCc5nc(C(N)=O)ccc54)n[nH]c3n2)CC1
InChIInChI=1S/C21H27N9O/c1-21(12-22)6-9-29(10-7-21)16-11-24-17-19(26-16)27-28-20(17)30-8-2-3-13-15(30)5-4-14(25-13)18(23)31/h4-5,11H,2-3,6-10,12,22H2,1H3,(H2,23,31)(H,26,27,28)
InChIKeyPTHZDPRLEODSCA-UHFFFAOYSA-N
XLogP1.50
TPSA142.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (CID 135387992) is 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is CC1(CN)CCN(c2cnc3c(N4CCCc5nc(C(N)=O)ccc54)n[nH]c3n2)CC1.
What is the InChIKey of 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The InChIKey is PTHZDPRLEODSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N9O/c1-21(12-22)6-9-29(10-7-21)16-11-24-17-19(26-16)27-28-20(17)30-8-2-3-13-15(30)5-4-14(25-13)18(23)31/h4-5,11H,2-3,6-10,12,22H2,1H3,(H2,23,31)(H,26,27,28).
What are the key properties of 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 135387992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).