4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide

C19H23ClF2N4O3 — CID 134373321

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCC1(O)CC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H23ClF2N4O3/c20-13-7-11-9-24-25-15(11)14(8-13)16(27)19(21,22)12-1-5-26(6-2-12)17(28)23-10-18(29)3-4-18/h7-9,12,16,27,29H,1-6,10H2,(H,23,28)(H,24,25)
InChIKeyDLVAGUIHAGAXCY-UHFFFAOYSA-N
MW428.87 g/mol
LogP2.83
Rot. Bonds5

About 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide (PubChem CID 134373321) has the molecular formula C19H23ClF2N4O3 and a molecular weight of 428.87 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide
PubChem CID134373321
Molecular FormulaC19H23ClF2N4O3
Molecular Weight428.87 g/mol
Exact Mass428.14
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCC1(O)CC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H23ClF2N4O3/c20-13-7-11-9-24-25-15(11)14(8-13)16(27)19(21,22)12-1-5-26(6-2-12)17(28)23-10-18(29)3-4-18/h7-9,12,16,27,29H,1-6,10H2,(H,23,28)(H,24,25)
InChIKeyDLVAGUIHAGAXCY-UHFFFAOYSA-N
XLogP2.83
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide (CID 134373321) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide is O=C(NCC1(O)CC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide?
The InChIKey is DLVAGUIHAGAXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF2N4O3/c20-13-7-11-9-24-25-15(11)14(8-13)16(27)19(21,22)12-1-5-26(6-2-12)17(28)23-10-18(29)3-4-18/h7-9,12,16,27,29H,1-6,10H2,(H,23,28)(H,24,25).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide has a molecular weight of 428.87 g/mol, XLogP of 2.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 134373321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).