2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H22N6O3 — CID 58522324

IUPAC2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](NC(N)=O)CC4)nc12
InChIInChI=1S/C20H22N6O3/c1-10(2)24-19(27)14-8-22-18-17(14)26-16(9-23-18)29-12-5-3-11-4-6-15(13(11)7-12)25-20(21)28/h3,5,7-10,15H,4,6H2,1-2H3,(H,22,23)(H,24,27)(H3,21,25,28)/t15-/m1/s1
InChIKeyQTDMUSCBVVKKHK-OAHLLOKOSA-N
MW394.44 g/mol
LogP2.54
Rot. Bonds5

About 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522324) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522324
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](NC(N)=O)CC4)nc12
InChIInChI=1S/C20H22N6O3/c1-10(2)24-19(27)14-8-22-18-17(14)26-16(9-23-18)29-12-5-3-11-4-6-15(13(11)7-12)25-20(21)28/h3,5,7-10,15H,4,6H2,1-2H3,(H,22,23)(H,24,27)(H3,21,25,28)/t15-/m1/s1
InChIKeyQTDMUSCBVVKKHK-OAHLLOKOSA-N
XLogP2.54
TPSA135.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522324) is 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](NC(N)=O)CC4)nc12.
What is the InChIKey of 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QTDMUSCBVVKKHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-10(2)24-19(27)14-8-22-18-17(14)26-16(9-23-18)29-12-5-3-11-4-6-15(13(11)7-12)25-20(21)28/h3,5,7-10,15H,4,6H2,1-2H3,(H,22,23)(H,24,27)(H3,21,25,28)/t15-/m1/s1.
What are the key properties of 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).