N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C21H23FN6O2 — CID 122551128

IUPACN-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCn1ncc(NC(=O)c2ccnc(Nc3ccc(CF)cn3)c2)c1C(C)(O)C1CC1
InChIInChI=1S/C21H23FN6O2/c1-21(30,15-4-5-15)19-16(12-25-28(19)2)26-20(29)14-7-8-23-18(9-14)27-17-6-3-13(10-22)11-24-17/h3,6-9,11-12,15,30H,4-5,10H2,1-2H3,(H,26,29)(H,23,24,27)
InChIKeyZCXHCNZATAGDFR-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.29
Rot. Bonds7

About N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 122551128) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID122551128
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC NameN-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCn1ncc(NC(=O)c2ccnc(Nc3ccc(CF)cn3)c2)c1C(C)(O)C1CC1
InChIInChI=1S/C21H23FN6O2/c1-21(30,15-4-5-15)19-16(12-25-28(19)2)26-20(29)14-7-8-23-18(9-14)27-17-6-3-13(10-22)11-24-17/h3,6-9,11-12,15,30H,4-5,10H2,1-2H3,(H,26,29)(H,23,24,27)
InChIKeyZCXHCNZATAGDFR-UHFFFAOYSA-N
XLogP3.29
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 122551128) is N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is Cn1ncc(NC(=O)c2ccnc(Nc3ccc(CF)cn3)c2)c1C(C)(O)C1CC1.
What is the InChIKey of N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is ZCXHCNZATAGDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-21(30,15-4-5-15)19-16(12-25-28(19)2)26-20(29)14-7-8-23-18(9-14)27-17-6-3-13(10-22)11-24-17/h3,6-9,11-12,15,30H,4-5,10H2,1-2H3,(H,26,29)(H,23,24,27).
What are the key properties of N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 122551128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).