6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H24N8O2 — CID 84973160

IUPAC6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cnn1CC1CC1
InChIInChI=1S/C22H24N8O2/c1-23-22(32)20-18(10-26-30(20)11-13-2-3-13)29-21(31)19-17(27-15-8-24-12-25-9-15)7-6-16(28-19)14-4-5-14/h6-10,12-14,27H,2-5,11H2,1H3,(H,23,32)(H,29,31)
InChIKeyIDLOSUBTXSDUEA-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.71
Rot. Bonds8

About 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 84973160) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID84973160
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cnn1CC1CC1
InChIInChI=1S/C22H24N8O2/c1-23-22(32)20-18(10-26-30(20)11-13-2-3-13)29-21(31)19-17(27-15-8-24-12-25-9-15)7-6-16(28-19)14-4-5-14/h6-10,12-14,27H,2-5,11H2,1H3,(H,23,32)(H,29,31)
InChIKeyIDLOSUBTXSDUEA-UHFFFAOYSA-N
XLogP2.71
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 84973160) is 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cnn1CC1CC1.
What is the InChIKey of 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is IDLOSUBTXSDUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-23-22(32)20-18(10-26-30(20)11-13-2-3-13)29-21(31)19-17(27-15-8-24-12-25-9-15)7-6-16(28-19)14-4-5-14/h6-10,12-14,27H,2-5,11H2,1H3,(H,23,32)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 84973160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).