N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine

C16H19F2N7O — CID 171838985

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine
SMILESFC(F)Oc1cc(Nc2cnc3ccn(C[C@H]4CCCNC4)c3n2)[nH]n1
InChIInChI=1S/C16H19F2N7O/c17-16(18)26-14-6-12(23-24-14)21-13-8-20-11-3-5-25(15(11)22-13)9-10-2-1-4-19-7-10/h3,5-6,8,10,16,19H,1-2,4,7,9H2,(H2,21,22,23,24)/t10-/m0/s1
InChIKeyFBTOCRZIKQUOSM-JTQLQIEISA-N
MW363.37 g/mol
LogP2.50
Rot. Bonds6

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

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine (PubChem CID 171838985) has the molecular formula C16H19F2N7O and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine
PubChem CID171838985
Molecular FormulaC16H19F2N7O
Molecular Weight363.37 g/mol
Exact Mass363.16
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine
SMILESFC(F)Oc1cc(Nc2cnc3ccn(C[C@H]4CCCNC4)c3n2)[nH]n1
InChIInChI=1S/C16H19F2N7O/c17-16(18)26-14-6-12(23-24-14)21-13-8-20-11-3-5-25(15(11)22-13)9-10-2-1-4-19-7-10/h3,5-6,8,10,16,19H,1-2,4,7,9H2,(H2,21,22,23,24)/t10-/m0/s1
InChIKeyFBTOCRZIKQUOSM-JTQLQIEISA-N
XLogP2.50
TPSA92.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine (CID 171838985) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine is FC(F)Oc1cc(Nc2cnc3ccn(C[C@H]4CCCNC4)c3n2)[nH]n1.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine?
The InChIKey is FBTOCRZIKQUOSM-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19F2N7O/c17-16(18)26-14-6-12(23-24-14)21-13-8-20-11-3-5-25(15(11)22-13)9-10-2-1-4-19-7-10/h3,5-6,8,10,16,19H,1-2,4,7,9H2,(H2,21,22,23,24)/t10-/m0/s1.
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine has a molecular weight of 363.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 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-[[(3S)-piperidin-3-yl]methyl]pyrrolo[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 171838985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).