3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide

C19H27N9O2 — CID 118114914

IUPAC3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3cnn(C4CC4)c3)n2)C1
InChIInChI=1S/C19H27N9O2/c1-26(2)19(30)24-12-4-3-7-27(10-12)15-9-21-16(17(20)29)18(25-15)23-13-8-22-28(11-13)14-5-6-14/h8-9,11-12,14H,3-7,10H2,1-2H3,(H2,20,29)(H,23,25)(H,24,30)/t12-/m1/s1
InChIKeyTVRPICUSVWZVDJ-GFCCVEGCSA-N
MW413.49 g/mol
LogP1.09
Rot. Bonds6

About 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide

3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 118114914) has the molecular formula C19H27N9O2 and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID118114914
Molecular FormulaC19H27N9O2
Molecular Weight413.49 g/mol
Exact Mass413.23
IUPAC Name3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3cnn(C4CC4)c3)n2)C1
InChIInChI=1S/C19H27N9O2/c1-26(2)19(30)24-12-4-3-7-27(10-12)15-9-21-16(17(20)29)18(25-15)23-13-8-22-28(11-13)14-5-6-14/h8-9,11-12,14H,3-7,10H2,1-2H3,(H2,20,29)(H,23,25)(H,24,30)/t12-/m1/s1
InChIKeyTVRPICUSVWZVDJ-GFCCVEGCSA-N
XLogP1.09
TPSA134.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide (CID 118114914) is 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide is CN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3cnn(C4CC4)c3)n2)C1.
What is the InChIKey of 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is TVRPICUSVWZVDJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H27N9O2/c1-26(2)19(30)24-12-4-3-7-27(10-12)15-9-21-16(17(20)29)18(25-15)23-13-8-22-28(11-13)14-5-6-14/h8-9,11-12,14H,3-7,10H2,1-2H3,(H2,20,29)(H,23,25)(H,24,30)/t12-/m1/s1.
What are the key properties of 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118114914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).