1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

C26H29ClN6O — CID 73296711

IUPAC1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1
InChIInChI=1S/C26H29ClN6O/c27-21-16-31-25(32-19-6-8-22(30-15-19)18-9-13-29-14-10-18)33-23(21)7-5-17-3-1-2-4-20(17)26(11-12-26)24(28)34/h1-4,6,8,15-16,18,29H,5,7,9-14H2,(H2,28,34)(H,31,32,33)
InChIKeyYNPZQOCKZKZHEM-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.04
Rot. Bonds8

About 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 73296711) has the molecular formula C26H29ClN6O and a molecular weight of 477.01 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID73296711
Molecular FormulaC26H29ClN6O
Molecular Weight477.01 g/mol
Exact Mass476.21
IUPAC Name1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1
InChIInChI=1S/C26H29ClN6O/c27-21-16-31-25(32-19-6-8-22(30-15-19)18-9-13-29-14-10-18)33-23(21)7-5-17-3-1-2-4-20(17)26(11-12-26)24(28)34/h1-4,6,8,15-16,18,29H,5,7,9-14H2,(H2,28,34)(H,31,32,33)
InChIKeyYNPZQOCKZKZHEM-UHFFFAOYSA-N
XLogP4.04
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (CID 73296711) is 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is NC(=O)C1(c2ccccc2CCc2nc(Nc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1.
What is the InChIKey of 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is YNPZQOCKZKZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O/c27-21-16-31-25(32-19-6-8-22(30-15-19)18-9-13-29-14-10-18)33-23(21)7-5-17-3-1-2-4-20(17)26(11-12-26)24(28)34/h1-4,6,8,15-16,18,29H,5,7,9-14H2,(H2,28,34)(H,31,32,33).
What are the key properties of 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 477.01 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 73296711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).