N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide

C17H23N9O — CID 53326192

IUPACN,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide
SMILESCc1cc(Nc2nc(N3CCN(C(=O)N(C)C)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C17H23N9O/c1-12-11-14(21-20-12)18-15-13-5-4-6-26(13)22-16(19-15)24-7-9-25(10-8-24)17(27)23(2)3/h4-6,11H,7-10H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyPCXPNJOIYHRNLS-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.31
Rot. Bonds3

About N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide

N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide (PubChem CID 53326192) has the molecular formula C17H23N9O and a molecular weight of 369.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide
PubChem CID53326192
Molecular FormulaC17H23N9O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC NameN,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide
SMILESCc1cc(Nc2nc(N3CCN(C(=O)N(C)C)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C17H23N9O/c1-12-11-14(21-20-12)18-15-13-5-4-6-26(13)22-16(19-15)24-7-9-25(10-8-24)17(27)23(2)3/h4-6,11H,7-10H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyPCXPNJOIYHRNLS-UHFFFAOYSA-N
XLogP1.31
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide (CID 53326192) is N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide is Cc1cc(Nc2nc(N3CCN(C(=O)N(C)C)CC3)nn3cccc23)n[nH]1.
What is the InChIKey of N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide?
The InChIKey is PCXPNJOIYHRNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9O/c1-12-11-14(21-20-12)18-15-13-5-4-6-26(13)22-16(19-15)24-7-9-25(10-8-24)17(27)23(2)3/h4-6,11H,7-10H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide?
N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53326192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).