N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol

C25H25F2N9O2 — CID 171656084

IUPACN-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol
SMILESCc1ccc(-n2nnc(C3CC3(F)F)n2)cc1NC=O.Cc1cnn2ccc(-c3cnn(CCO)c3)cc12
InChIInChI=1S/C13H14N4O.C12H11F2N5O/c1-10-7-15-17-3-2-11(6-13(10)17)12-8-14-16(9-12)4-5-18;1-7-2-3-8(4-10(7)15-6-20)19-17-11(16-18-19)9-5-12(9,13)14/h2-3,6-9,18H,4-5H2,1H3;2-4,6,9H,5H2,1H3,(H,15,20)
InChIKeyNROIIJYQAWEANY-UHFFFAOYSA-N
MW521.53 g/mol
LogP3.16
Rot. Bonds7

About N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol

N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol (PubChem CID 171656084) has the molecular formula C25H25F2N9O2 and a molecular weight of 521.53 g/mol. Its IUPAC name is N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound NameN-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol
PubChem CID171656084
Molecular FormulaC25H25F2N9O2
Molecular Weight521.53 g/mol
Exact Mass521.21
IUPAC NameN-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol
SMILESCc1ccc(-n2nnc(C3CC3(F)F)n2)cc1NC=O.Cc1cnn2ccc(-c3cnn(CCO)c3)cc12
InChIInChI=1S/C13H14N4O.C12H11F2N5O/c1-10-7-15-17-3-2-11(6-13(10)17)12-8-14-16(9-12)4-5-18;1-7-2-3-8(4-10(7)15-6-20)19-17-11(16-18-19)9-5-12(9,13)14/h2-3,6-9,18H,4-5H2,1H3;2-4,6,9H,5H2,1H3,(H,15,20)
InChIKeyNROIIJYQAWEANY-UHFFFAOYSA-N
XLogP3.16
TPSA128.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol?
The IUPAC name of N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol (CID 171656084) is N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol is Cc1ccc(-n2nnc(C3CC3(F)F)n2)cc1NC=O.Cc1cnn2ccc(-c3cnn(CCO)c3)cc12.
What is the InChIKey of N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol?
The InChIKey is NROIIJYQAWEANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O.C12H11F2N5O/c1-10-7-15-17-3-2-11(6-13(10)17)12-8-14-16(9-12)4-5-18;1-7-2-3-8(4-10(7)15-6-20)19-17-11(16-18-19)9-5-12(9,13)14/h2-3,6-9,18H,4-5H2,1H3;2-4,6,9H,5H2,1H3,(H,15,20).
What are the key properties of N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol?
N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol has a molecular weight of 521.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2,2-difluorocyclopropyl)tetrazol-2-yl]-2-methylphenyl]formamide;2-[4-(3-methylpyrazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 171656084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).