N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide

C25H30FN5O3 — CID 20925403

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H30FN5O3/c1-17-21(22-23(28-16-29-25(22)34-17)31-10-12-33-13-11-31)24(32)27-14-18-6-8-30(9-7-18)15-19-4-2-3-5-20(19)26/h2-5,16,18H,6-15H2,1H3,(H,27,32)
InChIKeyPEAGJONJPKDNNQ-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.15
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 20925403) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID20925403
Molecular FormulaC25H30FN5O3
Molecular Weight467.55 g/mol
Exact Mass467.23
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H30FN5O3/c1-17-21(22-23(28-16-29-25(22)34-17)31-10-12-33-13-11-31)24(32)27-14-18-6-8-30(9-7-18)15-19-4-2-3-5-20(19)26/h2-5,16,18H,6-15H2,1H3,(H,27,32)
InChIKeyPEAGJONJPKDNNQ-UHFFFAOYSA-N
XLogP3.15
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide (CID 20925403) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PEAGJONJPKDNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-17-21(22-23(28-16-29-25(22)34-17)31-10-12-33-13-11-31)24(32)27-14-18-6-8-30(9-7-18)15-19-4-2-3-5-20(19)26/h2-5,16,18H,6-15H2,1H3,(H,27,32).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 20925403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).