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

C21H24N6O3 — CID 67009123

IUPAC2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](NC(=O)NC)CC4)nc12
InChIInChI=1S/C21H24N6O3/c1-3-8-23-20(28)15-10-24-19-18(15)27-17(11-25-19)30-13-6-4-12-5-7-16(14(12)9-13)26-21(29)22-2/h4,6,9-11,16H,3,5,7-8H2,1-2H3,(H,23,28)(H,24,25)(H2,22,26,29)/t16-/m1/s1
InChIKeyMOISWZQLDSXZOE-MRXNPFEDSA-N
MW408.46 g/mol
LogP2.81
Rot. Bonds6

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

2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67009123) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67009123
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](NC(=O)NC)CC4)nc12
InChIInChI=1S/C21H24N6O3/c1-3-8-23-20(28)15-10-24-19-18(15)27-17(11-25-19)30-13-6-4-12-5-7-16(14(12)9-13)26-21(29)22-2/h4,6,9-11,16H,3,5,7-8H2,1-2H3,(H,23,28)(H,24,25)(H2,22,26,29)/t16-/m1/s1
InChIKeyMOISWZQLDSXZOE-MRXNPFEDSA-N
XLogP2.81
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67009123) is 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)[C@H](NC(=O)NC)CC4)nc12.
What is the InChIKey of 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MOISWZQLDSXZOE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-3-8-23-20(28)15-10-24-19-18(15)27-17(11-25-19)30-13-6-4-12-5-7-16(14(12)9-13)26-21(29)22-2/h4,6,9-11,16H,3,5,7-8H2,1-2H3,(H,23,28)(H,24,25)(H2,22,26,29)/t16-/m1/s1.
What are the key properties of 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67009123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).