N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide

C23H23F2N7O — CID 165129846

IUPACN-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(N2CC(F)(F)C2)nc(C2CC2)n1)c1cccc(-c2cnn(CC3CC3)c2)n1
InChIInChI=1S/C23H23F2N7O/c24-23(25)12-31(13-23)20-8-19(28-21(30-20)15-6-7-15)29-22(33)18-3-1-2-17(27-18)16-9-26-32(11-16)10-14-4-5-14/h1-3,8-9,11,14-15H,4-7,10,12-13H2,(H,28,29,30,33)
InChIKeyMCSZRZLKFVYQMN-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.73
Rot. Bonds7

About N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide

N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 165129846) has the molecular formula C23H23F2N7O and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID165129846
Molecular FormulaC23H23F2N7O
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC NameN-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(N2CC(F)(F)C2)nc(C2CC2)n1)c1cccc(-c2cnn(CC3CC3)c2)n1
InChIInChI=1S/C23H23F2N7O/c24-23(25)12-31(13-23)20-8-19(28-21(30-20)15-6-7-15)29-22(33)18-3-1-2-17(27-18)16-9-26-32(11-16)10-14-4-5-14/h1-3,8-9,11,14-15H,4-7,10,12-13H2,(H,28,29,30,33)
InChIKeyMCSZRZLKFVYQMN-UHFFFAOYSA-N
XLogP3.73
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 165129846) is N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cc(N2CC(F)(F)C2)nc(C2CC2)n1)c1cccc(-c2cnn(CC3CC3)c2)n1.
What is the InChIKey of N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is MCSZRZLKFVYQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O/c24-23(25)12-31(13-23)20-8-19(28-21(30-20)15-6-7-15)29-22(33)18-3-1-2-17(27-18)16-9-26-32(11-16)10-14-4-5-14/h1-3,8-9,11,14-15H,4-7,10,12-13H2,(H,28,29,30,33).
What are the key properties of N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165129846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).