N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide

C22H26ClN5OS — CID 156539005

IUPACN-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide
SMILESCc1csc2c(N3CCC(NC(=O)C(C)(C)Cc4ccncc4)CC3)nc(Cl)nc12
InChIInChI=1S/C22H26ClN5OS/c1-14-13-30-18-17(14)26-21(23)27-19(18)28-10-6-16(7-11-28)25-20(29)22(2,3)12-15-4-8-24-9-5-15/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,25,29)
InChIKeyURZQQQHLJOFSLE-UHFFFAOYSA-N
MW444.00 g/mol
LogP4.40
Rot. Bonds5

About N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide

N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide (PubChem CID 156539005) has the molecular formula C22H26ClN5OS and a molecular weight of 444.00 g/mol. Its IUPAC name is N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide
PubChem CID156539005
Molecular FormulaC22H26ClN5OS
Molecular Weight444.00 g/mol
Exact Mass443.15
IUPAC NameN-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide
SMILESCc1csc2c(N3CCC(NC(=O)C(C)(C)Cc4ccncc4)CC3)nc(Cl)nc12
InChIInChI=1S/C22H26ClN5OS/c1-14-13-30-18-17(14)26-21(23)27-19(18)28-10-6-16(7-11-28)25-20(29)22(2,3)12-15-4-8-24-9-5-15/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,25,29)
InChIKeyURZQQQHLJOFSLE-UHFFFAOYSA-N
XLogP4.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine
CID 156539124
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
CID 156555013
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 171994481
1-[2-[3-[1-[[1-(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]-3-pyridin-4-ylpropyl]-4-methylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidin-4-yl]-N-(3-pyridin-4-ylpropyl)piperidin-4-amine
CID 156555121
N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 18326429
N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 126794223
2-amino-1-[4-(2-cyclopropyl-7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 167805678
3-chloro-2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 108566261
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide (CID 156539005) is N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide is Cc1csc2c(N3CCC(NC(=O)C(C)(C)Cc4ccncc4)CC3)nc(Cl)nc12.
What is the InChIKey of N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide?
The InChIKey is URZQQQHLJOFSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5OS/c1-14-13-30-18-17(14)26-21(23)27-19(18)28-10-6-16(7-11-28)25-20(29)22(2,3)12-15-4-8-24-9-5-15/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide?
N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide has a molecular weight of 444.00 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 156539005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).