N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide

C29H35N9O2 — CID 162360846

IUPACN,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide
SMILESCc1nc2nc(C)c(O[C@@H]3CCN(c4ccc(-c5ccc(CN6CC(C(=O)N(C)C)C6)nn5)cc4)C3)c(C)n2n1
InChIInChI=1S/C29H35N9O2/c1-18-27(19(2)38-29(30-18)31-20(3)34-38)40-25-12-13-37(17-25)24-9-6-21(7-10-24)26-11-8-23(32-33-26)16-36-14-22(15-36)28(39)35(4)5/h6-11,22,25H,12-17H2,1-5H3/t25-/m1/s1
InChIKeyWUWKBOXVDNWWOJ-RUZDIDTESA-N
MW541.66 g/mol
LogP2.68
Rot. Bonds7

About N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide

N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide (PubChem CID 162360846) has the molecular formula C29H35N9O2 and a molecular weight of 541.66 g/mol. Its IUPAC name is N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide
PubChem CID162360846
Molecular FormulaC29H35N9O2
Molecular Weight541.66 g/mol
Exact Mass541.29
IUPAC NameN,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide
SMILESCc1nc2nc(C)c(O[C@@H]3CCN(c4ccc(-c5ccc(CN6CC(C(=O)N(C)C)C6)nn5)cc4)C3)c(C)n2n1
InChIInChI=1S/C29H35N9O2/c1-18-27(19(2)38-29(30-18)31-20(3)34-38)40-25-12-13-37(17-25)24-9-6-21(7-10-24)26-11-8-23(32-33-26)16-36-14-22(15-36)28(39)35(4)5/h6-11,22,25H,12-17H2,1-5H3/t25-/m1/s1
InChIKeyWUWKBOXVDNWWOJ-RUZDIDTESA-N
XLogP2.68
TPSA104.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.66
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide (CID 162360846) is N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide is Cc1nc2nc(C)c(O[C@@H]3CCN(c4ccc(-c5ccc(CN6CC(C(=O)N(C)C)C6)nn5)cc4)C3)c(C)n2n1.
What is the InChIKey of N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide?
The InChIKey is WUWKBOXVDNWWOJ-RUZDIDTESA-N. The full InChI is InChI=1S/C29H35N9O2/c1-18-27(19(2)38-29(30-18)31-20(3)34-38)40-25-12-13-37(17-25)24-9-6-21(7-10-24)26-11-8-23(32-33-26)16-36-14-22(15-36)28(39)35(4)5/h6-11,22,25H,12-17H2,1-5H3/t25-/m1/s1.
What are the key properties of N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide?
N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide has a molecular weight of 541.66 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 162360846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).