7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C23H24N6O — CID 66710881

IUPAC7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESc1cncc(-c2ccc3cnc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C23H24N6O/c1-2-13-28(12-1)14-15-30-21-8-5-19(6-9-21)26-23-25-17-20-7-10-22(29(20)27-23)18-4-3-11-24-16-18/h3-11,16-17H,1-2,12-15H2,(H,26,27)
InChIKeyLMKOEYLJPHDPSK-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.01
Rot. Bonds7

About 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 66710881) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID66710881
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESc1cncc(-c2ccc3cnc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C23H24N6O/c1-2-13-28(12-1)14-15-30-21-8-5-19(6-9-21)26-23-25-17-20-7-10-22(29(20)27-23)18-4-3-11-24-16-18/h3-11,16-17H,1-2,12-15H2,(H,26,27)
InChIKeyLMKOEYLJPHDPSK-UHFFFAOYSA-N
XLogP4.01
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-aminophenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589844
1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one
CID 66712024
5-[3-(cyclopropylmethylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589822
7-[3-(1,1-difluoroethyl)phenyl]-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 142948633
5-(1-propylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589769
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 46220497
5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 11851598
[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylcarbamic acid
CID 143787996
5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70832632
3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;1-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanone
CID 158772855
2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]acetic acid
CID 59589906
5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-2-amine
CID 11772958

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 66710881) is 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is c1cncc(-c2ccc3cnc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is LMKOEYLJPHDPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-2-13-28(12-1)14-15-30-21-8-5-19(6-9-21)26-23-25-17-20-7-10-22(29(20)27-23)18-4-3-11-24-16-18/h3-11,16-17H,1-2,12-15H2,(H,26,27).
What are the key properties of 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 400.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 66710881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).