5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide

C19H15F2N5O — CID 175792069

IUPAC5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1nncc(-c2c(F)cccc2F)c1Nc1ccc2c(c1)CCN2
InChIInChI=1S/C19H15F2N5O/c20-13-2-1-3-14(21)16(13)12-9-24-26-18(19(22)27)17(12)25-11-4-5-15-10(8-11)6-7-23-15/h1-5,8-9,23H,6-7H2,(H2,22,27)(H,24,25)
InChIKeyHFJVUDCYSWSQPI-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.23
Rot. Bonds4

About 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide

5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide (PubChem CID 175792069) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide
PubChem CID175792069
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1nncc(-c2c(F)cccc2F)c1Nc1ccc2c(c1)CCN2
InChIInChI=1S/C19H15F2N5O/c20-13-2-1-3-14(21)16(13)12-9-24-26-18(19(22)27)17(12)25-11-4-5-15-10(8-11)6-7-23-15/h1-5,8-9,23H,6-7H2,(H2,22,27)(H,24,25)
InChIKeyHFJVUDCYSWSQPI-UHFFFAOYSA-N
XLogP3.23
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide?
The IUPAC name of 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide (CID 175792069) is 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide is NC(=O)c1nncc(-c2c(F)cccc2F)c1Nc1ccc2c(c1)CCN2.
What is the InChIKey of 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide?
The InChIKey is HFJVUDCYSWSQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c20-13-2-1-3-14(21)16(13)12-9-24-26-18(19(22)27)17(12)25-11-4-5-15-10(8-11)6-7-23-15/h1-5,8-9,23H,6-7H2,(H2,22,27)(H,24,25).
What are the key properties of 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide?
5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 175792069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).