[2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol

C20H19N5O2 — CID 70677104

IUPAC[2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCc1ncc(CO)c2c(Nc3cnccn3)c(NCc3ccccc3)oc12
InChIInChI=1S/C20H19N5O2/c1-13-19-17(15(12-26)10-23-13)18(25-16-11-21-7-8-22-16)20(27-19)24-9-14-5-3-2-4-6-14/h2-8,10-11,24,26H,9,12H2,1H3,(H,22,25)
InChIKeyMRFOZMCXMJFMOS-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.77
Rot. Bonds6

About [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol

[2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol (PubChem CID 70677104) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
PubChem CID70677104
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name[2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCc1ncc(CO)c2c(Nc3cnccn3)c(NCc3ccccc3)oc12
InChIInChI=1S/C20H19N5O2/c1-13-19-17(15(12-26)10-23-13)18(25-16-11-21-7-8-22-16)20(27-19)24-9-14-5-3-2-4-6-14/h2-8,10-11,24,26H,9,12H2,1H3,(H,22,25)
InChIKeyMRFOZMCXMJFMOS-UHFFFAOYSA-N
XLogP3.77
TPSA96.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[7-(5-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280149
1-[7-(6-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280166
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[5-(methylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280219
4,4-dimethyl-8-propyl-N-(pyridin-2-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 665947
4,4,8-trimethyl-N-(pyridin-2-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-amine
CID 666753
4,4-dimethyl-8-propan-2-yl-N-(pyridin-2-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 667330
[3-(3-Fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677538
[7-Methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677539
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
CID 90405678
[2-(Cyclohexylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70676948
[2-(Benzylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70676950
[3-Anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol
CID 70677106

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The IUPAC name of [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol (CID 70677104) is [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol.
What is the SMILES notation for [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The canonical SMILES for [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol is Cc1ncc(CO)c2c(Nc3cnccn3)c(NCc3ccccc3)oc12.
What is the InChIKey of [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The InChIKey is MRFOZMCXMJFMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-19-17(15(12-26)10-23-13)18(25-16-11-21-7-8-22-16)20(27-19)24-9-14-5-3-2-4-6-14/h2-8,10-11,24,26H,9,12H2,1H3,(H,22,25).
What are the key properties of [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
[2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol has a molecular weight of 361.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol is sourced from PubChem (CID 70677104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).