methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate

C24H27N5O3 — CID 66576170

IUPACmethyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccc(-c3cccn4nc(NC(=O)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-32-24(31)28-13-11-27(12-14-28)16-17-4-6-18(7-5-17)20-3-2-10-29-21(20)15-22(26-29)25-23(30)19-8-9-19/h2-7,10,15,19H,8-9,11-14,16H2,1H3,(H,25,26,30)
InChIKeyJGPGJOOJFOLSKB-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.23
Rot. Bonds5

About methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate

methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate (PubChem CID 66576170) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate
PubChem CID66576170
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Namemethyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2ccc(-c3cccn4nc(NC(=O)C5CC5)cc34)cc2)CC1
InChIInChI=1S/C24H27N5O3/c1-32-24(31)28-13-11-27(12-14-28)16-17-4-6-18(7-5-17)20-3-2-10-29-21(20)15-22(26-29)25-23(30)19-8-9-19/h2-7,10,15,19H,8-9,11-14,16H2,1H3,(H,25,26,30)
InChIKeyJGPGJOOJFOLSKB-UHFFFAOYSA-N
XLogP3.23
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate (CID 66576170) is methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2ccc(-c3cccn4nc(NC(=O)C5CC5)cc34)cc2)CC1.
What is the InChIKey of methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate?
The InChIKey is JGPGJOOJFOLSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-32-24(31)28-13-11-27(12-14-28)16-17-4-6-18(7-5-17)20-3-2-10-29-21(20)15-22(26-29)25-23(30)19-8-9-19/h2-7,10,15,19H,8-9,11-14,16H2,1H3,(H,25,26,30).
What are the key properties of methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate?
methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 66576170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).