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

C20H23F2N7 — CID 155527985

IUPACN-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCCC3(F)F)n2)cn1
InChIInChI=1S/C20H23F2N7/c1-29(2)17-4-3-13(10-26-17)15-9-16-18(25-8-7-24-16)19(28-15)27-12-14-11-23-6-5-20(14,21)22/h3-4,7-10,14,23H,5-6,11-12H2,1-2H3,(H,27,28)/t14-/m0/s1
InChIKeyMKAHLUQCHFLGCS-AWEZNQCLSA-N
MW399.45 g/mol
LogP2.81
Rot. Bonds5

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

N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 155527985) has the molecular formula C20H23F2N7 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID155527985
Molecular FormulaC20H23F2N7
Molecular Weight399.45 g/mol
Exact Mass399.20
IUPAC NameN-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCCC3(F)F)n2)cn1
InChIInChI=1S/C20H23F2N7/c1-29(2)17-4-3-13(10-26-17)15-9-16-18(25-8-7-24-16)19(28-15)27-12-14-11-23-6-5-20(14,21)22/h3-4,7-10,14,23H,5-6,11-12H2,1-2H3,(H,27,28)/t14-/m0/s1
InChIKeyMKAHLUQCHFLGCS-AWEZNQCLSA-N
XLogP2.81
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine (CID 155527985) is N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine is CN(C)c1ccc(-c2cc3nccnc3c(NC[C@@H]3CNCCC3(F)F)n2)cn1.
What is the InChIKey of N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is MKAHLUQCHFLGCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23F2N7/c1-29(2)17-4-3-13(10-26-17)15-9-16-18(25-8-7-24-16)19(28-15)27-12-14-11-23-6-5-20(14,21)22/h3-4,7-10,14,23H,5-6,11-12H2,1-2H3,(H,27,28)/t14-/m0/s1.
What are the key properties of N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 399.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 155527985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).