N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

C29H39FN6O4S2 — CID 122432390

IUPACN-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)F)CC4)c(C)sc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C29H39FN6O4S2/c1-18-22(17-35-9-7-20(8-10-35)29(2,3)30)25-26(41-18)24(32-28(33-25)36-11-13-40-14-12-36)19-15-23(27(39-4)31-16-19)34-42(37,38)21-5-6-21/h15-16,20-21,34H,5-14,17H2,1-4H3
InChIKeyRRXKJJFURVAXDJ-UHFFFAOYSA-N
MW618.80 g/mol
LogP4.77
Rot. Bonds9

About N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 122432390) has the molecular formula C29H39FN6O4S2 and a molecular weight of 618.80 g/mol. Its IUPAC name is N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID122432390
Molecular FormulaC29H39FN6O4S2
Molecular Weight618.80 g/mol
Exact Mass618.25
IUPAC NameN-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)F)CC4)c(C)sc23)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C29H39FN6O4S2/c1-18-22(17-35-9-7-20(8-10-35)29(2,3)30)25-26(41-18)24(32-28(33-25)36-11-13-40-14-12-36)19-15-23(27(39-4)31-16-19)34-42(37,38)21-5-6-21/h15-16,20-21,34H,5-14,17H2,1-4H3
InChIKeyRRXKJJFURVAXDJ-UHFFFAOYSA-N
XLogP4.77
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.80
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 122432390) is N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)F)CC4)c(C)sc23)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is RRXKJJFURVAXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN6O4S2/c1-18-22(17-35-9-7-20(8-10-35)29(2,3)30)25-26(41-18)24(32-28(33-25)36-11-13-40-14-12-36)19-15-23(27(39-4)31-16-19)34-42(37,38)21-5-6-21/h15-16,20-21,34H,5-14,17H2,1-4H3.
What are the key properties of N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 618.80 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 122432390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).