2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine

C21H17N11 — CID 133440145

IUPAC2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine
SMILESc1cnc2nc(NCc3ccnc4ccnn34)c(NCc3ccnc4ccnn34)nc2c1
InChIInChI=1S/C21H17N11/c1-2-16-19(24-7-1)30-21(26-13-15-4-9-23-18-6-11-28-32(15)18)20(29-16)25-12-14-3-8-22-17-5-10-27-31(14)17/h1-11H,12-13H2,(H,25,29)(H,24,26,30)
InChIKeyQSEIJELQTWODQG-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.33
Rot. Bonds6

About 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine

2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine (PubChem CID 133440145) has the molecular formula C21H17N11 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine
PubChem CID133440145
Molecular FormulaC21H17N11
Molecular Weight423.44 g/mol
Exact Mass423.17
IUPAC Name2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine
SMILESc1cnc2nc(NCc3ccnc4ccnn34)c(NCc3ccnc4ccnn34)nc2c1
InChIInChI=1S/C21H17N11/c1-2-16-19(24-7-1)30-21(26-13-15-4-9-23-18-6-11-28-32(15)18)20(29-16)25-12-14-3-8-22-17-5-10-27-31(14)17/h1-11H,12-13H2,(H,25,29)(H,24,26,30)
InChIKeyQSEIJELQTWODQG-UHFFFAOYSA-N
XLogP2.33
TPSA123.11 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

8-methyl-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinazolin-4-amine
CID 133440108
2-N,3-N-bis[[2-(dimethylamino)-4-pyridinyl]methyl]pyrido[2,3-b]pyrazine-2,3-diamine
CID 71853674
2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine
CID 71853675
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine
CID 133439900
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyridin-2-amine
CID 133439849
2-N,3-N-dimethylpyrido[2,3-b]pyrazine-2,3-diamine
CID 57351034
5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile
CID 133439815
ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
CID 133440185
7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 142675794
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 63302427
4-fluoro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 133439954
(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone
CID 133440136

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine (CID 133440145) is 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine is c1cnc2nc(NCc3ccnc4ccnn34)c(NCc3ccnc4ccnn34)nc2c1.
What is the InChIKey of 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine?
The InChIKey is QSEIJELQTWODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N11/c1-2-16-19(24-7-1)30-21(26-13-15-4-9-23-18-6-11-28-32(15)18)20(29-16)25-12-14-3-8-22-17-5-10-27-31(14)17/h1-11H,12-13H2,(H,25,29)(H,24,26,30).
What are the key properties of 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine?
2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine has a molecular weight of 423.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)pyrido[2,3-b]pyrazine-2,3-diamine is sourced from PubChem (CID 133440145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).