2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide

C24H25FN6O — CID 172532411

IUPAC2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCn1cc(-c2ccc(C(=O)N(c3cc4ccn(C)c4cn3)[C@@H]3CCCNC3)c(F)c2)cn1
InChIInChI=1S/C24H25FN6O/c1-29-9-7-17-11-23(27-14-22(17)29)31(19-4-3-8-26-13-19)24(32)20-6-5-16(10-21(20)25)18-12-28-30(2)15-18/h5-7,9-12,14-15,19,26H,3-4,8,13H2,1-2H3/t19-/m1/s1
InChIKeyVBQIHJUVVWJUJR-LJQANCHMSA-N
MW432.50 g/mol
LogP3.51
Rot. Bonds4

About 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide

2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 172532411) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID172532411
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCn1cc(-c2ccc(C(=O)N(c3cc4ccn(C)c4cn3)[C@@H]3CCCNC3)c(F)c2)cn1
InChIInChI=1S/C24H25FN6O/c1-29-9-7-17-11-23(27-14-22(17)29)31(19-4-3-8-26-13-19)24(32)20-6-5-16(10-21(20)25)18-12-28-30(2)15-18/h5-7,9-12,14-15,19,26H,3-4,8,13H2,1-2H3/t19-/m1/s1
InChIKeyVBQIHJUVVWJUJR-LJQANCHMSA-N
XLogP3.51
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,8-dimethylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532524
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533003
2-fluoro-N-(6-fluoro-5-methoxyisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532125
4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 172533416
2-fluoro-N-[6-(4-methylsulfonylphenyl)isoquinolin-1-yl]-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533507
N-(2-bromothieno[3,2-c]pyridin-4-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533626
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933923
N-(6-benzylisoquinolin-1-yl)-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533643
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[1-(trideuteriomethyl)triazol-4-yl]benzamide
CID 172532539
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532663
2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]-N-(3-prop-1-en-2-ylthieno[3,2-c]pyridin-4-yl)benzamide
CID 172533451
N-[2-[(E)-3-amino-3-oxoprop-1-enyl]thieno[3,2-c]pyridin-4-yl]-2-fluoro-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532031

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide (CID 172532411) is 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide is Cn1cc(-c2ccc(C(=O)N(c3cc4ccn(C)c4cn3)[C@@H]3CCCNC3)c(F)c2)cn1.
What is the InChIKey of 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is VBQIHJUVVWJUJR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-29-9-7-17-11-23(27-14-22(17)29)31(19-4-3-8-26-13-19)24(32)20-6-5-16(10-21(20)25)18-12-28-30(2)15-18/h5-7,9-12,14-15,19,26H,3-4,8,13H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide?
2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 432.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 172532411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).