[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid

C21H21F2N3O4 — CID 67778494

IUPAC[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid
SMILESC[C@@H](COc1ccc(-c2nn3cc(OCC4CC4)ccc3c2F)c(F)c1)NC(=O)O
InChIInChI=1S/C21H21F2N3O4/c1-12(24-21(27)28)10-29-14-4-6-16(17(22)8-14)20-19(23)18-7-5-15(9-26(18)25-20)30-11-13-2-3-13/h4-9,12-13,24H,2-3,10-11H2,1H3,(H,27,28)/t12-/m0/s1
InChIKeyNSSASLYIBZJHRE-LBPRGKRZSA-N
MW417.41 g/mol
LogP4.10
Rot. Bonds8

About [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid

[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid (PubChem CID 67778494) has the molecular formula C21H21F2N3O4 and a molecular weight of 417.41 g/mol. Its IUPAC name is [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid
PubChem CID67778494
Molecular FormulaC21H21F2N3O4
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC Name[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid
SMILESC[C@@H](COc1ccc(-c2nn3cc(OCC4CC4)ccc3c2F)c(F)c1)NC(=O)O
InChIInChI=1S/C21H21F2N3O4/c1-12(24-21(27)28)10-29-14-4-6-16(17(22)8-14)20-19(23)18-7-5-15(9-26(18)25-20)30-11-13-2-3-13/h4-9,12-13,24H,2-3,10-11H2,1H3,(H,27,28)/t12-/m0/s1
InChIKeyNSSASLYIBZJHRE-LBPRGKRZSA-N
XLogP4.10
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid (CID 67778494) is [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid is C[C@@H](COc1ccc(-c2nn3cc(OCC4CC4)ccc3c2F)c(F)c1)NC(=O)O.
What is the InChIKey of [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid?
The InChIKey is NSSASLYIBZJHRE-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H21F2N3O4/c1-12(24-21(27)28)10-29-14-4-6-16(17(22)8-14)20-19(23)18-7-5-15(9-26(18)25-20)30-11-13-2-3-13/h4-9,12-13,24H,2-3,10-11H2,1H3,(H,27,28)/t12-/m0/s1.
What are the key properties of [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid?
[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid has a molecular weight of 417.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid is sourced from PubChem (CID 67778494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).