7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C20H25N7 — CID 66555698

IUPAC7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1
InChIInChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/t14-/m0/s1
InChIKeyCLKZDZYGBHNPSM-AWEZNQCLSA-N
MW363.47 g/mol
LogP2.56
Rot. Bonds5

About 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 66555698) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID66555698
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1
InChIInChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/t14-/m0/s1
InChIKeyCLKZDZYGBHNPSM-AWEZNQCLSA-N
XLogP2.56
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 66555698) is 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1.
What is the InChIKey of 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is CLKZDZYGBHNPSM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/t14-/m0/s1.
What are the key properties of 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 363.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(dimethylamino)-3-pyridinyl]-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 66555698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).