6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide

C20H22N10O2 — CID 164599054

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide
SMILESN#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C(=O)NCc3cc[nH]c3)nn2)cn1
InChIInChI=1S/C20H22N10O2/c21-6-14-9-26-18(12-24-14)28-17-5-16(25-11-15-10-23-3-4-32-15)19(30-29-17)20(31)27-8-13-1-2-22-7-13/h1-2,5,7,9,12,15,22-23H,3-4,8,10-11H2,(H,27,31)(H2,25,26,28,29)
InChIKeyWULJPVJUHGXGNJ-UHFFFAOYSA-N
MW434.46 g/mol
LogP0.54
Rot. Bonds8

About 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 164599054) has the molecular formula C20H22N10O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID164599054
Molecular FormulaC20H22N10O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide
SMILESN#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C(=O)NCc3cc[nH]c3)nn2)cn1
InChIInChI=1S/C20H22N10O2/c21-6-14-9-26-18(12-24-14)28-17-5-16(25-11-15-10-23-3-4-32-15)19(30-29-17)20(31)27-8-13-1-2-22-7-13/h1-2,5,7,9,12,15,22-23H,3-4,8,10-11H2,(H,27,31)(H2,25,26,28,29)
InChIKeyWULJPVJUHGXGNJ-UHFFFAOYSA-N
XLogP0.54
TPSA165.56 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide (CID 164599054) is 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide is N#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C(=O)NCc3cc[nH]c3)nn2)cn1.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is WULJPVJUHGXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10O2/c21-6-14-9-26-18(12-24-14)28-17-5-16(25-11-15-10-23-3-4-32-15)19(30-29-17)20(31)27-8-13-1-2-22-7-13/h1-2,5,7,9,12,15,22-23H,3-4,8,10-11H2,(H,27,31)(H2,25,26,28,29).
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide?
6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 0.54, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-4-(morpholin-2-ylmethylamino)-N-(1H-pyrrol-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 164599054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).