(2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C24H23F2N5O — CID 123692026

IUPAC(2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCN1CCC[C@H]1c1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2C[C@H]2C[C@@H]32)nc1
InChIInChI=1S/C24H23F2N5O/c1-30-8-2-3-19(30)13-4-7-21(27-12-13)28-24(32)22-17-10-14-9-16(14)23(17)31(29-22)20-6-5-15(25)11-18(20)26/h4-7,11-12,14,16,19H,2-3,8-10H2,1H3,(H,27,28,32)/t14-,16-,19+/m1/s1
InChIKeyYJECKZPGHPHIDL-OGWOLHLISA-N
MW435.48 g/mol
LogP4.22
Rot. Bonds4

About (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 123692026) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID123692026
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name(2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCN1CCC[C@H]1c1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2C[C@H]2C[C@@H]32)nc1
InChIInChI=1S/C24H23F2N5O/c1-30-8-2-3-19(30)13-4-7-21(27-12-13)28-24(32)22-17-10-14-9-16(14)23(17)31(29-22)20-6-5-15(25)11-18(20)26/h4-7,11-12,14,16,19H,2-3,8-10H2,1H3,(H,27,28,32)/t14-,16-,19+/m1/s1
InChIKeyYJECKZPGHPHIDL-OGWOLHLISA-N
XLogP4.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 123692026) is (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is CN1CCC[C@H]1c1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)c3c2C[C@H]2C[C@@H]32)nc1.
What is the InChIKey of (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is YJECKZPGHPHIDL-OGWOLHLISA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-30-8-2-3-19(30)13-4-7-21(27-12-13)28-24(32)22-17-10-14-9-16(14)23(17)31(29-22)20-6-5-15(25)11-18(20)26/h4-7,11-12,14,16,19H,2-3,8-10H2,1H3,(H,27,28,32)/t14-,16-,19+/m1/s1.
What are the key properties of (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 123692026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).