N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine

C17H15F2N7O — CID 171838989

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine
SMILESCC(c1cccnc1)n1ccc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C17H15F2N7O/c1-10(11-3-2-5-20-8-11)26-6-4-12-16(26)23-14(9-21-12)22-13-7-15(25-24-13)27-17(18)19/h2-10,17H,1H3,(H2,22,23,24,25)
InChIKeyDJWUNSNIWOHNSO-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.50
Rot. Bonds6

About N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine (PubChem CID 171838989) has the molecular formula C17H15F2N7O and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine
PubChem CID171838989
Molecular FormulaC17H15F2N7O
Molecular Weight371.35 g/mol
Exact Mass371.13
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine
SMILESCC(c1cccnc1)n1ccc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C17H15F2N7O/c1-10(11-3-2-5-20-8-11)26-6-4-12-16(26)23-14(9-21-12)22-13-7-15(25-24-13)27-17(18)19/h2-10,17H,1H3,(H2,22,23,24,25)
InChIKeyDJWUNSNIWOHNSO-UHFFFAOYSA-N
XLogP3.50
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752077
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751940
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752181
1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 169290480
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine
CID 59627006
5-iodo-1-(1-pyridin-3-ylethyl)benzimidazol-2-amine
CID 66081984
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole
CID 155913617
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 43523812
2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292162
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
2-(difluoromethoxy)-5-pyridin-3-ylpyridine
CID 46316891

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine (CID 171838989) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine is CC(c1cccnc1)n1ccc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine?
The InChIKey is DJWUNSNIWOHNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O/c1-10(11-3-2-5-20-8-11)26-6-4-12-16(26)23-14(9-21-12)22-13-7-15(25-24-13)27-17(18)19/h2-10,17H,1H3,(H2,22,23,24,25).
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine has a molecular weight of 371.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 171838989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).