methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate

C17H19N5O2 — CID 127024686

IUPACmethyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3nc(N)nc(N4CCCCC4)c3c2c1
InChIInChI=1S/C17H19N5O2/c1-24-16(23)10-5-6-12-11(9-10)13-14(19-12)20-17(18)21-15(13)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8H2,1H3,(H3,18,19,20,21)
InChIKeySKVGFVZDRLZIEY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.47
Rot. Bonds2

About methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate

methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate (PubChem CID 127024686) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate
PubChem CID127024686
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Namemethyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3nc(N)nc(N4CCCCC4)c3c2c1
InChIInChI=1S/C17H19N5O2/c1-24-16(23)10-5-6-12-11(9-10)13-14(19-12)20-17(18)21-15(13)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8H2,1H3,(H3,18,19,20,21)
InChIKeySKVGFVZDRLZIEY-UHFFFAOYSA-N
XLogP2.47
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate?
The IUPAC name of methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate (CID 127024686) is methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate.
What is the SMILES notation for methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate?
The canonical SMILES for methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate is COC(=O)c1ccc2[nH]c3nc(N)nc(N4CCCCC4)c3c2c1.
What is the InChIKey of methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate?
The InChIKey is SKVGFVZDRLZIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-16(23)10-5-6-12-11(9-10)13-14(19-12)20-17(18)21-15(13)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8H2,1H3,(H3,18,19,20,21).
What are the key properties of methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate?
methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxylate is sourced from PubChem (CID 127024686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).