4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C19H20ClN5O2 — CID 174210714

IUPAC4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCc1cc(Cl)cc(-c2ncnn3cc(C(N)=O)cc23)c1OC1CCCNC1
InChIInChI=1S/C19H20ClN5O2/c1-11-5-13(20)7-15(18(11)27-14-3-2-4-22-8-14)17-16-6-12(19(21)26)9-25(16)24-10-23-17/h5-7,9-10,14,22H,2-4,8H2,1H3,(H2,21,26)
InChIKeyKNXUMNMJMRZVDY-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.59
Rot. Bonds4

About 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 174210714) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID174210714
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCc1cc(Cl)cc(-c2ncnn3cc(C(N)=O)cc23)c1OC1CCCNC1
InChIInChI=1S/C19H20ClN5O2/c1-11-5-13(20)7-15(18(11)27-14-3-2-4-22-8-14)17-16-6-12(19(21)26)9-25(16)24-10-23-17/h5-7,9-10,14,22H,2-4,8H2,1H3,(H2,21,26)
InChIKeyKNXUMNMJMRZVDY-UHFFFAOYSA-N
XLogP2.59
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 174210714) is 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is Cc1cc(Cl)cc(-c2ncnn3cc(C(N)=O)cc23)c1OC1CCCNC1.
What is the InChIKey of 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is KNXUMNMJMRZVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-11-5-13(20)7-15(18(11)27-14-3-2-4-22-8-14)17-16-6-12(19(21)26)9-25(16)24-10-23-17/h5-7,9-10,14,22H,2-4,8H2,1H3,(H2,21,26).
What are the key properties of 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methyl-2-piperidin-3-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 174210714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).