[2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

C34H39N7O4 — CID 70693987

IUPAC[2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
SMILESCc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(CN3CCOCC3)[nH]nc12
InChIInChI=1S/C34H39N7O4/c1-23-18-24(19-27-30(37-38-32(23)27)22-39-14-16-44-17-15-39)20-31(29-8-4-5-11-35-29)45-34(43)40-12-9-26(10-13-40)41-21-25-6-2-3-7-28(25)36-33(41)42/h2-8,11,18-19,26,31H,9-10,12-17,20-22H2,1H3,(H,36,42)(H,37,38)
InChIKeySAYDNSNTUKHINT-UHFFFAOYSA-N
MW609.73 g/mol
LogP5.03
Rot. Bonds7

About [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

[2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate (PubChem CID 70693987) has the molecular formula C34H39N7O4 and a molecular weight of 609.73 g/mol. Its IUPAC name is [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
PubChem CID70693987
Molecular FormulaC34H39N7O4
Molecular Weight609.73 g/mol
Exact Mass609.31
IUPAC Name[2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
SMILESCc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(CN3CCOCC3)[nH]nc12
InChIInChI=1S/C34H39N7O4/c1-23-18-24(19-27-30(37-38-32(23)27)22-39-14-16-44-17-15-39)20-31(29-8-4-5-11-35-29)45-34(43)40-12-9-26(10-13-40)41-21-25-6-2-3-7-28(25)36-33(41)42/h2-8,11,18-19,26,31H,9-10,12-17,20-22H2,1H3,(H,36,42)(H,37,38)
InChIKeySAYDNSNTUKHINT-UHFFFAOYSA-N
XLogP5.03
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The IUPAC name of [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate (CID 70693987) is [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate is Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(CN3CCOCC3)[nH]nc12.
What is the InChIKey of [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The InChIKey is SAYDNSNTUKHINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O4/c1-23-18-24(19-27-30(37-38-32(23)27)22-39-14-16-44-17-15-39)20-31(29-8-4-5-11-35-29)45-34(43)40-12-9-26(10-13-40)41-21-25-6-2-3-7-28(25)36-33(41)42/h2-8,11,18-19,26,31H,9-10,12-17,20-22H2,1H3,(H,36,42)(H,37,38).
What are the key properties of [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
[2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate has a molecular weight of 609.73 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-methyl-3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 70693987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).