2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine

C23H27N9 — CID 133378933

IUPAC2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine
SMILESCn1cc(C2CCCN2c2nc3cccnc3nc2N2CCCC2c2cnn(C)c2)cn1
InChIInChI=1S/C23H27N9/c1-29-14-16(12-25-29)19-7-4-10-31(19)22-23(28-21-18(27-22)6-3-9-24-21)32-11-5-8-20(32)17-13-26-30(2)15-17/h3,6,9,12-15,19-20H,4-5,7-8,10-11H2,1-2H3
InChIKeyMLFSNDMUMJNUDM-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.17
Rot. Bonds4

About 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine

2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine (PubChem CID 133378933) has the molecular formula C23H27N9 and a molecular weight of 429.53 g/mol. Its IUPAC name is 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine
PubChem CID133378933
Molecular FormulaC23H27N9
Molecular Weight429.53 g/mol
Exact Mass429.24
IUPAC Name2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine
SMILESCn1cc(C2CCCN2c2nc3cccnc3nc2N2CCCC2c2cnn(C)c2)cn1
InChIInChI=1S/C23H27N9/c1-29-14-16(12-25-29)19-7-4-10-31(19)22-23(28-21-18(27-22)6-3-9-24-21)32-11-5-8-20(32)17-13-26-30(2)15-17/h3,6,9,12-15,19-20H,4-5,7-8,10-11H2,1-2H3
InChIKeyMLFSNDMUMJNUDM-UHFFFAOYSA-N
XLogP3.17
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine?
The IUPAC name of 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine (CID 133378933) is 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine is Cn1cc(C2CCCN2c2nc3cccnc3nc2N2CCCC2c2cnn(C)c2)cn1.
What is the InChIKey of 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine?
The InChIKey is MLFSNDMUMJNUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9/c1-29-14-16(12-25-29)19-7-4-10-31(19)22-23(28-21-18(27-22)6-3-9-24-21)32-11-5-8-20(32)17-13-26-30(2)15-17/h3,6,9,12-15,19-20H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine?
2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine has a molecular weight of 429.53 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 133378933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).