fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate

C19H16F2N6O5 — CID 163220984

IUPACfluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCc1c(F)c(OCCOC(N)=O)c2[nH]ncc2c1-c1ccn2nc(NC(=O)OF)cc2c1
InChIInChI=1S/C19H16F2N6O5/c1-9-14(10-2-3-27-11(6-10)7-13(26-27)24-19(29)32-21)12-8-23-25-16(12)17(15(9)20)30-4-5-31-18(22)28/h2-3,6-8H,4-5H2,1H3,(H2,22,28)(H,23,25)(H,24,26,29)
InChIKeyMNKXHANGXCPQBS-UHFFFAOYSA-N
MW446.37 g/mol
LogP3.23
Rot. Bonds6

About fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate

fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate (PubChem CID 163220984) has the molecular formula C19H16F2N6O5 and a molecular weight of 446.37 g/mol. Its IUPAC name is fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namefluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate
PubChem CID163220984
Molecular FormulaC19H16F2N6O5
Molecular Weight446.37 g/mol
Exact Mass446.12
IUPAC Namefluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCc1c(F)c(OCCOC(N)=O)c2[nH]ncc2c1-c1ccn2nc(NC(=O)OF)cc2c1
InChIInChI=1S/C19H16F2N6O5/c1-9-14(10-2-3-27-11(6-10)7-13(26-27)24-19(29)32-21)12-8-23-25-16(12)17(15(9)20)30-4-5-31-18(22)28/h2-3,6-8H,4-5H2,1H3,(H2,22,28)(H,23,25)(H,24,26,29)
InChIKeyMNKXHANGXCPQBS-UHFFFAOYSA-N
XLogP3.23
TPSA145.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718115
fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate
CID 163220905
N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]formamide;cyclopropane
CID 163221482
5-(6,7-difluoro-5-methyl-1H-indazol-4-yl)-N-methylpyrazolo[1,5-a]pyridin-2-amine
CID 167002328
N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide
CID 167002564
5-(6-fluoro-5-methyl-7-methylsulfanyl-1H-indazol-4-yl)-N-methylpyrazolo[1,5-a]pyridin-2-amine
CID 167002548
cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5,7-dimethyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 165071369
N-[5-[7-[acetyl(methyl)amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707250
cis-(1S,2S)-N-[5-[7-[[4-(dimethylamino)cyclohexyl]-methylamino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 167002538
cis-(1S,2S)-N-[5-(7-ethoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718123
N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707330
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[methyl(1,2,4-triazin-3-yl)amino]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520430

Frequently Asked Questions

What is the IUPAC name of fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The IUPAC name of fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate (CID 163220984) is fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate.
What is the SMILES notation for fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The canonical SMILES for fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate is Cc1c(F)c(OCCOC(N)=O)c2[nH]ncc2c1-c1ccn2nc(NC(=O)OF)cc2c1.
What is the InChIKey of fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The InChIKey is MNKXHANGXCPQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O5/c1-9-14(10-2-3-27-11(6-10)7-13(26-27)24-19(29)32-21)12-8-23-25-16(12)17(15(9)20)30-4-5-31-18(22)28/h2-3,6-8H,4-5H2,1H3,(H2,22,28)(H,23,25)(H,24,26,29).
What are the key properties of fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate?
fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate has a molecular weight of 446.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 163220984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).