7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide

C31H30N12O4 — CID 166472411

IUPAC7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nccn2cc1C(=O)Nc1ccccn1.CC(C)Oc1nc2nccn2cc1C(=O)Nc1cnn2cccnc12
InChIInChI=1S/C16H15N7O2.C15H15N5O2/c1-10(2)25-15-11(9-22-7-5-18-16(22)21-15)14(24)20-12-8-19-23-6-3-4-17-13(12)23;1-10(2)22-14-11(9-20-8-7-17-15(20)19-14)13(21)18-12-5-3-4-6-16-12/h3-10H,1-2H3,(H,20,24);3-10H,1-2H3,(H,16,18,21)
InChIKeyMNHWSPBQRHSGPX-UHFFFAOYSA-N
MW634.66 g/mol
LogP3.98
Rot. Bonds8

About 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide

7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 166472411) has the molecular formula C31H30N12O4 and a molecular weight of 634.66 g/mol. Its IUPAC name is 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID166472411
Molecular FormulaC31H30N12O4
Molecular Weight634.66 g/mol
Exact Mass634.25
IUPAC Name7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nccn2cc1C(=O)Nc1ccccn1.CC(C)Oc1nc2nccn2cc1C(=O)Nc1cnn2cccnc12
InChIInChI=1S/C16H15N7O2.C15H15N5O2/c1-10(2)25-15-11(9-22-7-5-18-16(22)21-15)14(24)20-12-8-19-23-6-3-4-17-13(12)23;1-10(2)22-14-11(9-20-8-7-17-15(20)19-14)13(21)18-12-5-3-4-6-16-12/h3-10H,1-2H3,(H,20,24);3-10H,1-2H3,(H,16,18,21)
InChIKeyMNHWSPBQRHSGPX-UHFFFAOYSA-N
XLogP3.98
TPSA180.12 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.66
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide (CID 166472411) is 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide is CC(C)Oc1nc2nccn2cc1C(=O)Nc1ccccn1.CC(C)Oc1nc2nccn2cc1C(=O)Nc1cnn2cccnc12.
What is the InChIKey of 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is MNHWSPBQRHSGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2.C15H15N5O2/c1-10(2)25-15-11(9-22-7-5-18-16(22)21-15)14(24)20-12-8-19-23-6-3-4-17-13(12)23;1-10(2)22-14-11(9-20-8-7-17-15(20)19-14)13(21)18-12-5-3-4-6-16-12/h3-10H,1-2H3,(H,20,24);3-10H,1-2H3,(H,16,18,21).
What are the key properties of 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide?
7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 634.66 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyrimidine-6-carboxamide;7-propan-2-yloxy-N-pyridin-2-ylimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 166472411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).