6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H23N9O2 — CID 54760198

IUPAC6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C
InChIInChI=1S/C20H23N9O2/c1-4-29-17(20(31)28(2)3)15(10-24-29)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-5-6-12/h7-12H,4-6H2,1-3H3,(H,23,25)(H,27,30)
InChIKeyIGHYHDUCVCKKBP-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.06
Rot. Bonds7

About 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760198) has the molecular formula C20H23N9O2 and a molecular weight of 421.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54760198
Molecular FormulaC20H23N9O2
Molecular Weight421.47 g/mol
Exact Mass421.20
IUPAC Name6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C
InChIInChI=1S/C20H23N9O2/c1-4-29-17(20(31)28(2)3)15(10-24-29)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-5-6-12/h7-12H,4-6H2,1-3H3,(H,23,25)(H,27,30)
InChIKeyIGHYHDUCVCKKBP-UHFFFAOYSA-N
XLogP2.06
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760198) is 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N(C)C.
What is the InChIKey of 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is IGHYHDUCVCKKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O2/c1-4-29-17(20(31)28(2)3)15(10-24-29)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-5-6-12/h7-12H,4-6H2,1-3H3,(H,23,25)(H,27,30).
What are the key properties of 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).