N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide

C26H35N9O3 — CID 66589175

IUPACN-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide
SMILESCCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)NCC(=O)NCCN(C)C)cc3)nc21
InChIInChI=1S/C26H35N9O3/c1-4-35-25-21(13-29-35)24(34-15-19-9-10-20(16-34)38-19)31-23(32-25)17-5-7-18(8-6-17)30-26(37)28-14-22(36)27-11-12-33(2)3/h5-8,13,19-20H,4,9-12,14-16H2,1-3H3,(H,27,36)(H2,28,30,37)
InChIKeyUGFVGTPDMLVVQB-UHFFFAOYSA-N
MW521.63 g/mol
LogP1.68
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide

N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide (PubChem CID 66589175) has the molecular formula C26H35N9O3 and a molecular weight of 521.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide
PubChem CID66589175
Molecular FormulaC26H35N9O3
Molecular Weight521.63 g/mol
Exact Mass521.29
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide
SMILESCCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)NCC(=O)NCCN(C)C)cc3)nc21
InChIInChI=1S/C26H35N9O3/c1-4-35-25-21(13-29-35)24(34-15-19-9-10-20(16-34)38-19)31-23(32-25)17-5-7-18(8-6-17)30-26(37)28-14-22(36)27-11-12-33(2)3/h5-8,13,19-20H,4,9-12,14-16H2,1-3H3,(H,27,36)(H2,28,30,37)
InChIKeyUGFVGTPDMLVVQB-UHFFFAOYSA-N
XLogP1.68
TPSA129.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(dimethylamino)ethylamino]phenyl]-3-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 45488081
1-[4-[1-[2-(dimethylamino)ethyl]-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-ethylurea
CID 45488020
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 45488034
1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea
CID 25262616
1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 57424452
1-[4-[1-[2-(dimethylamino)ethyl]-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-pyridin-4-ylurea
CID 57424436
1-ethyl-3-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 57424414
1-[4-[1-tert-butyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(2-fluoroethyl)urea
CID 87063261
[4-[1-(2-fluoroethyl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 68730975
1-[4-[1-(2-hydroxyethyl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-[4-(2-hydroxyethyl)phenyl]urea
CID 57424470
1-methyl-3-[4-[1-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 25262946
[4-[1-[2-(dimethylamino)ethyl]-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-(2-hydroxyethyl)carbamic acid
CID 57424433

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide (CID 66589175) is N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide is CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)NCC(=O)NCCN(C)C)cc3)nc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide?
The InChIKey is UGFVGTPDMLVVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N9O3/c1-4-35-25-21(13-29-35)24(34-15-19-9-10-20(16-34)38-19)31-23(32-25)17-5-7-18(8-6-17)30-26(37)28-14-22(36)27-11-12-33(2)3/h5-8,13,19-20H,4,9-12,14-16H2,1-3H3,(H,27,36)(H2,28,30,37).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide?
N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide has a molecular weight of 521.63 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 66589175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).