propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate

C20H21ClFN7O2 — CID 169195931

IUPACpropan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate
SMILESCC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)OC(C)C)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C20H21ClFN7O2/c1-9(2)25-19-17(22)16(21)15(11-5-24-28-18(11)19)12-7-29-8-13(26-14(29)6-23-12)27-20(30)31-10(3)4/h5-10,25H,1-4H3,(H,24,28)(H,27,30)
InChIKeyXEJNDICRUYCBHS-UHFFFAOYSA-N
MW445.89 g/mol
LogP4.84
Rot. Bonds5

About propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate

propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate (PubChem CID 169195931) has the molecular formula C20H21ClFN7O2 and a molecular weight of 445.89 g/mol. Its IUPAC name is propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate
PubChem CID169195931
Molecular FormulaC20H21ClFN7O2
Molecular Weight445.89 g/mol
Exact Mass445.14
IUPAC Namepropan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate
SMILESCC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)OC(C)C)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C20H21ClFN7O2/c1-9(2)25-19-17(22)16(21)15(11-5-24-28-18(11)19)12-7-29-8-13(26-14(29)6-23-12)27-20(30)31-10(3)4/h5-10,25H,1-4H3,(H,24,28)(H,27,30)
InChIKeyXEJNDICRUYCBHS-UHFFFAOYSA-N
XLogP4.84
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.89
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide
CID 169196167
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717942
cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220732
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide
CID 169196004
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide
CID 169196068
cis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220696
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(methylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520650
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid
CID 165076763
cis-(1S,2S)-N-[6-[7-(1-aminoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220631
N-[6-[7-(azetidin-3-yloxy)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 169196044
2-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropyl]methylamino]imidazo[1,2-a]pyrazin-6-yl]-1H-indazol-7-yl]amino]propan-1-ol
CID 166996181
6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine
CID 166996375

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate (CID 169195931) is propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate is CC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)OC(C)C)nc3cn2)c2cn[nH]c12.
What is the InChIKey of propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate?
The InChIKey is XEJNDICRUYCBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN7O2/c1-9(2)25-19-17(22)16(21)15(11-5-24-28-18(11)19)12-7-29-8-13(26-14(29)6-23-12)27-20(30)31-10(3)4/h5-10,25H,1-4H3,(H,24,28)(H,27,30).
What are the key properties of propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate?
propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate has a molecular weight of 445.89 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate is sourced from PubChem (CID 169195931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).