(1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol

C19H21N5O2 — CID 70792134

IUPAC(1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol
SMILESCc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2C3C[C@@]4(O)CC3C[C@@H]2C4)n1
InChIInChI=1S/C19H21N5O2/c1-9-22-18(26-24-9)14-8-21-17-12(2-3-20-17)16(14)23-15-11-4-10-5-19(25,6-11)7-13(10)15/h2-3,8,10-11,13,15,25H,4-7H2,1H3,(H2,20,21,23)/t10?,11-,13?,15+,19-/m1/s1
InChIKeyHYEKGAFPRIWAFY-IBUXUAPRSA-N
MW351.41 g/mol
LogP2.88
Rot. Bonds3

About (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol

(1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol (PubChem CID 70792134) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol.

Molecular Properties

Compound Name(1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol
PubChem CID70792134
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol
SMILESCc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2C3C[C@@]4(O)CC3C[C@@H]2C4)n1
InChIInChI=1S/C19H21N5O2/c1-9-22-18(26-24-9)14-8-21-17-12(2-3-20-17)16(14)23-15-11-4-10-5-19(25,6-11)7-13(10)15/h2-3,8,10-11,13,15,25H,4-7H2,1H3,(H2,20,21,23)/t10?,11-,13?,15+,19-/m1/s1
InChIKeyHYEKGAFPRIWAFY-IBUXUAPRSA-N
XLogP2.88
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol?
The IUPAC name of (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol (CID 70792134) is (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol.
What is the SMILES notation for (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol?
The canonical SMILES for (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol is Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2C3C[C@@]4(O)CC3C[C@@H]2C4)n1.
What is the InChIKey of (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol?
The InChIKey is HYEKGAFPRIWAFY-IBUXUAPRSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-9-22-18(26-24-9)14-8-21-17-12(2-3-20-17)16(14)23-15-11-4-10-5-19(25,6-11)7-13(10)15/h2-3,8,10-11,13,15,25H,4-7H2,1H3,(H2,20,21,23)/t10?,11-,13?,15+,19-/m1/s1.
What are the key properties of (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol?
(1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol has a molecular weight of 351.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-4-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]tricyclo[3.3.1.03,7]nonan-1-ol is sourced from PubChem (CID 70792134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).