6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C21H24N10O2 — CID 54760944

IUPAC6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN1CC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)C1
InChIInChI=1S/C21H24N10O2/c1-30-9-14(10-30)27-21(33)18-16(8-25-31(18)2)29-20(32)17-19(26-13-5-22-11-23-6-13)24-7-15(28-17)12-3-4-12/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,24,26)(H,27,33)(H,29,32)
InChIKeyGEEDHFJOHKDCCZ-UHFFFAOYSA-N
MW448.49 g/mol
LogP0.92
Rot. Bonds7

About 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760944) has the molecular formula C21H24N10O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54760944
Molecular FormulaC21H24N10O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN1CC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)C1
InChIInChI=1S/C21H24N10O2/c1-30-9-14(10-30)27-21(33)18-16(8-25-31(18)2)29-20(32)17-19(26-13-5-22-11-23-6-13)24-7-15(28-17)12-3-4-12/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,24,26)(H,27,33)(H,29,32)
InChIKeyGEEDHFJOHKDCCZ-UHFFFAOYSA-N
XLogP0.92
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760944) is 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN1CC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)C1.
What is the InChIKey of 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is GEEDHFJOHKDCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N10O2/c1-30-9-14(10-30)27-21(33)18-16(8-25-31(18)2)29-20(32)17-19(26-13-5-22-11-23-6-13)24-7-15(28-17)12-3-4-12/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,24,26)(H,27,33)(H,29,32).
What are the key properties of 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).